24981829 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 48 49 50 51 52 53 16 8 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 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 1 1 4 4 5 6 6 7 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 15 15 16 17 18 18 19 19 20 20 21 22 24 24 24 25 25 25 27 28 28 29 29 29 30 30 31 31 32 2 3 8 11 20 25 23 27 53 26 12 33 10 23 42 26 45 13 14 18 19 16 34 17 35 16 17 23 36 37 21 38 22 39 21 22 40 41 26 27 28 29 43 44 30 31 46 48 49 50 32 47 32 51 52 2 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 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 48 49 50 51 52 53 6.001 7.001 5.001 9.4651 6.8671 2.5369 3.403 6.001 5.135 5.135 6.001 6.8671 5.135 6.8671 6.001 5.135 6.8671 7.7331 6.8671 8.5991 8.5991 7.7331 6.001 4.269 9.4651 4.269 3.403 5.135 10.3312 3.403 5.135 4.269 5.4641 4.5981 7.404 4.5981 7.404 7.7331 6.3301 9.136 7.7331 4.5981 9.2531 8.8546 5.672 5.672 2.866 10.6412 10.8681 10.0212 5.672 4.269 2 2.25 2.25 2.25 5.25 -2.25 -4.75 -3.25 3.25 -2.25 -3.25 1.25 3.75 0.75 0.75 -0.75 -0.25 -0.25 3.25 4.75 4.75 3.75 5.25 -1.75 -4.75 6.25 -3.75 -5.25 -5.25 6.75 -6.25 -6.25 -6.75 3.56 1.06 1.06 -0.56 -0.56 2.63 5.06 3.44 5.87 -1.94 6.8326 6.1423 -3.56 -4.94 -6.56 6.2131 7.06 7.2869 -6.56 -7.37 -5.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 11 11 12 12 13 14 15 15 18 19 20 20 24 24 27 28 30 31 13 14 18 19 16 17 16 17 21 22 21 22 27 28 30 31 32 32 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 724 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B38004000000000000000000000000000000000003060C0000000000000015000001E04184800000C0CA1D80232C780620602880225525070C208102422021AA819066CC80C263686B59B827960E6F01108F987B8C8208E10400000000800002080000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-ethoxyphenyl)-4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-ethoxyphenyl)-4-[[[(2-hydroxyphenyl)-oxomethyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(4-ethoxyphenyl)-4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-ethoxyphenyl)-4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-ethoxyphenyl)-4-[[(2-hydroxyphenyl)carbonylamino]carbamoyl]benzenesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-p-phenetyl-4-[(salicyloylamino)carbamoyl]benzenesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H21N3O6S/c1-2-31-17-11-9-16(10-12-17)25-32(29,30)18-13-7-15(8-14-18)21(27)23-24-22(28)19-5-3-4-6-20(19)26/h3-14,25-26H,2H2,1H3,(H,23,27)(H,24,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FDYGLTSNBZPEKM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 455.11510657 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H21N3O6S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 455.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 142 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 455.11510657 32 0 0 0 0 0 0 0 1 -1