56932093 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 16 16 8 8 8 8 7 7 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 2 2 3 4 7 7 8 8 8 9 9 10 11 11 11 12 12 15 15 16 16 17 18 18 18 19 19 20 21 21 22 22 23 23 24 25 25 5 6 7 17 17 24 13 14 9 26 10 18 27 10 13 14 12 13 15 14 16 19 28 20 29 21 23 30 31 20 32 33 22 34 24 35 25 36 37 38 39 2 2 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 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 3 3.809 4.732 4.732 2 4 3 3 3.866 3.866 5.5981 5.5981 4.732 4.732 6.492 6.492 3 3 7.3981 7.3981 2.191 2.5 2.134 3.5 2.134 2.4631 2.4631 6.4848 6.4848 3.6106 3.212 7.9338 7.9338 1.6013 2.1356 1.597 3.8644 2.6709 1.597 -1.4806 -3.0684 -1.4806 2.5194 -1.4806 -1.4806 -0.4806 1.5194 0.0194 1.0194 0.0194 1.0194 -0.4806 1.5194 -0.5152 1.5541 -2.4806 2.5194 -0.0014 1.0402 -3.0684 -4.0194 3.0194 -4.0194 4.0194 -0.1706 1.2094 -1.1352 2.174 2.4118 3.102 -0.3135 1.3523 -2.8768 -4.521 2.7094 -4.521 4.3294 4.3294 8 8 8 8 8 8 8 8 8 8 8 2 2 11 11 12 15 16 17 19 21 22 17 24 12 15 16 19 20 21 20 22 24 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 709 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B380060000000000000000000000000012000000030400000000000000081C000001E04104000000C0CC5D804B00182C0000A8C02A4524070C301902408104888998800C8082032A09531842100209000A889C71989808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(allylamino)-1,4-dioxo-2-naphthyl]thiophene-2-sulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1,4-dioxo-3-(prop-2-enylamino)-2-naphthalenyl]-2-thiophenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[1,4-dioxo-3-(prop-2-enylamino)naphthalen-2-yl]thiophene-2-sulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1,4-dioxo-3-(prop-2-enylamino)naphthalen-2-yl]thiophene-2-sulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1,4-bis(oxidanylidene)-3-(prop-2-enylamino)naphthalen-2-yl]thiophene-2-sulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-(allylamino)-1,4-diketo-2-naphthyl]thiophene-2-sulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H14N2O4S2/c1-2-9-18-14-15(19-25(22,23)13-8-5-10-24-13)17(21)12-7-4-3-6-11(12)16(14)20/h2-8,10,18-19H,1,9H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CARYQVUASOIQOL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 374.03949928 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H14N2O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 374.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C=CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NS(=O)(=O)C3=CC=CS3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C=CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NS(=O)(=O)C3=CC=CS3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 129 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 374.03949928 25 0 0 0 0 0 0 0 1 -1