650437 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 54 55 56 16 8 8 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 1 1 4 4 5 6 6 7 7 8 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 15 15 16 16 17 19 20 20 21 21 22 22 23 23 24 24 25 25 26 27 27 28 29 31 31 32 33 33 33 34 34 34 2 3 9 14 17 32 18 26 33 30 34 30 11 12 18 19 40 13 35 36 17 37 38 15 18 20 21 16 39 19 22 24 23 25 30 27 41 26 42 28 43 31 44 29 45 28 29 46 47 48 32 49 50 51 52 53 54 55 56 2 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 2 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 2 1 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 48 49 50 51 52 53 54 55 56 8.9962 8.4962 9.4962 6.4551 8.1301 2.868 11.5942 9.8622 8.1301 6.3981 8.1301 7.2641 7.2641 9.8622 6.3981 5.532 7.2641 7.2641 5.532 10.7282 9.8622 4.6381 4.6381 8.0731 11.5942 3.732 10.7282 3.732 11.5942 10.7282 7.7641 6.7641 2 11.5942 8.3422 8.7407 6.6535 7.052 6.3981 6.3981 9.3252 4.6453 4.6453 8.6628 12.1312 10.7282 3.1963 12.1312 8.1285 6.3997 1.6921 1.4619 2.3079 10.9742 11.5942 12.2142 0.7906 1.6566 -0.0754 2.3784 -2.7094 -0.6853 -0.7094 -0.7094 0.2906 -2.7094 -0.7094 0.7906 -1.2094 1.2906 -0.7094 -1.2094 1.7906 -2.2094 -2.2094 0.7906 2.2906 -0.6748 -2.7441 2.3784 1.2906 -1.1886 2.7906 -2.2302 2.2906 -0.2094 3.3294 3.3294 -1.1819 -1.7094 -1.292 -0.6018 0.8982 0.208 -0.0894 -3.3294 2.6006 -0.0548 -3.364 2.1868 0.9806 3.4106 -2.5423 2.6006 3.831 3.831 -0.6438 -1.4899 -1.7201 -1.7094 -2.3294 -1.7094 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 10 10 13 13 14 14 15 16 16 17 19 20 21 22 23 24 25 26 27 31 17 32 18 19 15 18 20 21 16 19 22 24 23 25 27 26 28 31 29 28 29 32 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 884 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B380040000000000000000000000000012000000030608000000000000081D000001E04104000000C0CE1D80632CF82C004428802ADD2D870C208102522000888198E6CC80E263AC4F5BB873928E4D411D8E987B8D9328E004001000006000000800200000C0000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2-[2-furylmethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-furanylmethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoic acid methyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2-[furan-2-ylmethyl-[(6-methoxy-2-oxo-1<I>H</I>-quinolin-3-yl)methyl]sulfamoyl]benzoate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2-[furan-2-ylmethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2-[furan-2-ylmethyl-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-furfuryl-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]sulfamoyl]benzoic acid methyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H22N2O7S/c1-31-18-9-10-21-16(13-18)12-17(23(27)25-21)14-26(15-19-6-5-11-33-19)34(29,30)22-8-4-3-7-20(22)24(28)32-2/h3-13H,14-15H2,1-2H3,(H,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ONSMJHPITPCBTI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 482.11477222 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H22N2O7S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 482.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4C(=O)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4C(=O)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 124 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 482.11477222 34 0 0 0 0 0 0 0 1 -1