2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]ethanesulfonic acid CAS Name: 2-[[[1-cyclohexyl-2-(2-phenyl-6-quinoxalinyl)-5-benzimidazolyl]-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]ethanesulfonic acid Traditional Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]ethanesulfonic acid Formula: C30H29N5O4S MolecularWeight: 555.64736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NCCS(=O)(=O)O)N=C2C4=CC5=NC=C(N=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NCCS(=O)(=O)O)N=C2C4=CC5=NC=C(N=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C30H29N5O4S/c36-30(31-15-16-40(37,38)39)22-12-14-28-26(18-22)34-29(35(28)23-9-5-2-6-10-23)21-11-13-24-25(17-21)32-19-27(33-24)20-7-3-1-4-8-20/h1,3-4,7-8,11-14,17-19,23H,2,5-6,9-10,15-16H2,(H,31,36)(H,37,38,39)