54681789 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 16 8 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 7 7 7 8 8 8 9 10 10 11 11 12 12 12 13 13 13 16 16 17 17 19 19 19 20 20 21 22 22 23 23 24 24 25 25 25 26 27 28 28 28 5 6 9 22 15 42 14 18 10 13 14 9 18 38 39 11 16 15 17 14 15 18 19 29 30 20 31 21 32 33 34 35 21 36 37 23 24 26 40 27 41 26 27 28 43 44 45 46 47 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 8.9962 4.666 6.3981 6.3981 9.4962 8.4962 4.666 7.2641 8.1301 3.8 3.8 5.5321 4.666 5.5321 4.666 2.9061 2.9061 6.3981 5.5321 2 2 9.8622 10.7282 9.8622 11.5942 11.5942 10.7282 12.4603 4.0555 4.454 2.9132 2.9132 5.2221 6.069 5.8421 1.4643 1.4643 7.2641 8.1301 10.7282 9.3252 4.1291 12.1312 10.7282 12.1503 12.9972 12.7703 0.595 2.095 -0.905 2.095 1.461 -0.271 -0.905 0.595 1.095 -0.405 0.595 0.595 -1.905 -0.405 1.095 -0.9397 1.1297 1.095 -2.405 -0.4258 0.6158 0.095 0.595 -0.905 -0.905 0.095 -1.405 -1.405 -1.7973 -2.4876 -1.5596 1.7496 -2.9419 -2.715 -1.8681 -0.7379 0.9279 -0.025 1.715 1.215 -1.215 2.405 0.405 -2.025 -1.9419 -1.715 -0.8681 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 10 10 11 11 12 12 16 17 20 22 22 23 24 25 25 10 14 11 16 15 17 14 15 20 21 21 23 24 26 27 26 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 750 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3800400000000000000000000000000000000000306080000000000000814000001E04184800000C0CC1D80432C183620202880225525070C200102122021AA819086CC808262AC8D19184700866C601C8D90790C0200E10000000000200002000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-ethyl-4-hydroxy-2-oxo-N'-(p-tolylsulfonyl)quinoline-3-carbohydrazide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-ethyl-4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-3-quinolinecarbohydrazide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-ethyl-4-hydroxy-<I>N</I>&apos;-(4-methylphenyl)sulfonyl-2-oxoquinoline-3-carbohydrazide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-ethyl-4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxoquinoline-3-carbohydrazide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-ethyl-N'-(4-methylphenyl)sulfonyl-4-oxidanyl-2-oxidanylidene-quinoline-3-carbohydrazide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-ethyl-4-hydroxy-2-keto-N'-tosyl-quinoline-3-carbohydrazide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H19N3O5S/c1-3-22-15-7-5-4-6-14(15)17(23)16(19(22)25)18(24)20-21-28(26,27)13-10-8-12(2)9-11-13/h4-11,21,23H,3H2,1-2H3,(H,20,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PRCUDVKEOWCTRG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 401.10454189 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H19N3O5S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 401.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)C)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)C)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 124 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 401.10454189 28 0 0 0 0 0 0 0 1 -1