2717 -OEChem-10051719313D 29 30 0 1 0 0 0 0 0999 V2000 5.0821 -0.5194 0.6697 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3249 1.7255 0.0783 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 2.7217 -0.8997 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 2.0749 1.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8942 -2.4030 0.4222 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5209 -0.9384 -0.7511 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7023 0.2903 -0.8068 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8077 1.0981 0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5423 -0.2707 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7531 0.0877 -0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3444 -1.3038 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3418 -1.8773 -1.8562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7354 0.8972 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1058 -0.9089 0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0747 0.7096 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -1.0963 0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4295 -0.2872 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7391 0.5978 -1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5799 1.0644 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 1.8091 1.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4077 -0.5763 2.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6646 -0.2787 2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3107 -2.2408 -1.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -1.3606 -2.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0154 -2.7340 -1.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4716 1.6773 -1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 -1.5500 0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8311 1.3475 -1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 -1.8755 1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 M END > DB01178 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WEQAYVWKMWHEJO-UHFFFAOYSA-N/SDF?record_type=3d > CN1C(C2=CC=C(Cl)C=C2)S(=O)(=O)CCC1=O > InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3 > WEQAYVWKMWHEJO-UHFFFAOYSA-N > C11H12ClNO3S > 273.736 > 273.022641652 > 3 > 29 > 3.663449970279088e-10 > 25.715331725486227 > 1 > 0 > 0 > 1 > 2-(4-chlorophenyl)-3-methyl-1lambda6,3-thiazinane-1,1,4-trione > 0.84 > 0.9171674296666675 > -2.23 > 0 > 0 > 2 > 0 > 19.072128640163584 > -2.4351068204794735 > 54.45 > 64.88000000000001 > 1 > 1 > 1.61e+00 g/l > tetrahydrofolic acid > 0 $$$$