22829045 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 16 8 8 8 8 8 7 7 6 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 2 5 5 6 6 7 7 7 8 9 9 9 10 10 11 12 12 14 15 15 16 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 28 28 29 29 31 31 31 3 4 8 17 13 27 31 30 49 12 20 35 11 10 11 15 13 16 14 13 14 32 18 33 19 34 21 22 19 36 37 23 24 25 38 26 39 28 40 29 41 27 42 27 43 30 44 30 45 46 47 48 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 8 -1 1 11 9 14 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 6.8671 7.7331 7.3671 6.3671 3.403 2.5369 6.001 7.7331 8.5991 8.5991 7.7331 6.8671 7.7331 6.8671 9.4931 9.4931 6.001 10.3991 10.3991 5.135 6.001 5.135 4.269 5.135 5.135 4.269 4.269 3.403 4.269 3.403 3.403 6.3301 9.4859 9.4859 6.001 10.9349 10.9349 6.538 5.135 4.269 5.672 5.135 3.732 2.866 4.269 2.783 3.403 4.023 2 -0.75 3.75 -1.616 0.116 -2.75 0.75 2.75 -0.25 1.25 2.25 0.75 2.25 2.75 1.25 0.7153 2.7847 -1.25 1.2292 2.2708 2.25 -2.25 -0.75 2.75 1.25 -2.75 -1.25 -2.25 2.25 0.75 1.25 -3.75 0.94 0.0954 3.4046 3.37 0.9171 2.5829 -2.56 -0.13 3.37 0.94 -3.37 -0.94 2.56 0.13 -3.75 -4.37 -3.75 1.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 15 16 17 17 18 20 20 21 22 23 24 25 26 28 29 10 15 16 18 19 21 22 19 23 24 25 26 28 29 27 27 30 30 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 815 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B38004000000000000000000000000000000000003060C1000000000000815000001E04104800000C0C81D80232C782C00602A803A4724070C20810252200088819B66CD80C26B2C6B5BB84712864D011C8F987B8C8808E80C00000001000000180000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (NE)-N-[3-(4-hydroxyanilino)-4-oxo-1-naphthylidene]-4-methoxy-benzenesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (NE)-N-[3-(4-hydroxyanilino)-4-oxo-1-naphthalenylidene]-4-methoxybenzenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (<I>N</I><I>E</I>)-<I>N</I>-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (NE)-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (NE)-N-[3-[(4-hydroxyphenyl)amino]-4-oxidanylidene-naphthalen-1-ylidene]-4-methoxy-benzenesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (NE)-N-[3-(4-hydroxyanilino)-4-keto-1-naphthylidene]-4-methoxy-benzenesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H18N2O5S/c1-30-17-10-12-18(13-11-17)31(28,29)25-21-14-22(24-15-6-8-16(26)9-7-15)23(27)20-5-3-2-4-19(20)21/h2-14,24,26H,1H3/b25-21+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BQUUTNOUIXDXTN-NJNXFGOHSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 434.09364285 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H18N2O5S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 434.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)NC4=CC=C(C=C4)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=C(C(=O)C3=CC=CC=C32)NC4=CC=C(C=C4)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 113 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 434.09364285 31 0 0 0 1 1 0 0 1 -1