22525634 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 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 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 2 2 2 2 3 8 8 9 10 10 10 11 11 12 13 13 15 16 16 17 17 18 18 19 19 19 20 20 21 21 22 22 23 23 24 25 25 25 26 27 28 28 29 29 30 30 30 31 31 32 32 33 4 5 9 16 6 7 8 20 14 13 35 12 11 12 17 14 18 15 14 15 34 21 22 23 36 24 37 25 26 27 28 29 26 38 27 39 24 40 41 30 42 43 44 45 31 46 32 47 48 49 50 33 51 33 52 53 2 2 1 1 2 2 1 1 2 1 1 2 1 1 2 1 2 1 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 9 -1 1 12 10 15 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 6.3301 4.5981 7.1962 5.4641 5.8301 4.0981 5.0981 5.4641 7.1962 8.0622 8.0622 7.1962 6.3301 7.1962 6.3301 6.8301 8.9561 8.9561 7.8301 3.732 7.8301 6.3301 9.8622 9.8622 8.3301 8.3301 6.8301 3.732 2.866 7.8301 2.866 2 2 5.7932 5.4641 8.949 8.949 8.1401 5.7101 10.3979 10.3979 8.8051 8.8051 8.9501 6.5201 4.269 2.866 7.2932 7.5201 8.3671 2.866 1.4631 1.4631 -0.0849 2.9151 4.4151 -0.5849 0.7811 3.7811 2.049 3.4151 0.4151 1.9151 2.9151 1.4151 2.9151 3.4151 1.9151 -0.951 1.3804 3.4497 -2.683 2.4151 -0.951 -1.817 1.8942 2.9359 -3.549 -1.817 -2.683 1.4151 2.9151 -4.4151 0.9151 2.4151 1.4151 1.6051 4.0351 0.7604 4.0697 -0.414 -1.817 1.5822 3.248 -3.9476 -3.1505 -1.817 -3.22 1.1051 3.5351 -4.1051 -4.952 -4.7251 0.2951 2.7251 1.1051 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 11 16 16 17 18 19 19 20 20 21 22 23 28 29 31 32 11 17 18 21 22 23 24 26 27 28 29 26 27 24 31 32 33 33 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 990 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B38006000000000000000000000000000000000003060C1000000000000815000001E04104000000C0C81D800320180400002A803A4724070420010240200088819B000D80820B28095118021002080000889871888808E90000000001000002000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (NE)-N-[3-(benzenesulfonamido)-4-oxo-1-naphthylidene]-4-ethyl-benzenesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (NE)-N-[3-(benzenesulfonamido)-4-oxo-1-naphthalenylidene]-4-ethylbenzenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (<I>N</I><I>E</I>)-<I>N</I>-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (NE)-4-ethyl-N-[4-oxidanylidene-3-(phenylsulfonylamino)naphthalen-1-ylidene]benzenesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (NE)-N-[3-(benzenesulfonamido)-4-keto-1-naphthylidene]-4-ethyl-benzenesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H20N2O5S2/c1-2-17-12-14-19(15-13-17)33(30,31)25-22-16-23(24(27)21-11-7-6-10-20(21)22)26-32(28,29)18-8-4-3-5-9-18/h3-16,26H,2H2,1H3/b25-22+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BVHFEGZKDGKGSM-YYDJUVGSSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 480.08136409 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H20N2O5S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 480.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=C(C(=O)C3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 127 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 480.08136409 33 0 0 0 1 1 0 0 1 -1