3-[(2-chloranyl-4-morpholin-4-yl-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide

Systemtic Name: 3-[(2-chloranyl-4-morpholin-4-yl-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-morpholino-phenyl)methyl]-2-methyl-N-(p-tolylsulfonyl)benzimidazole-5-carboxamide CAS Name: 3-[[2-chloro-4-(4-morpholinyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-(2-chloro-4-morpholino-benzyl)-2-methyl-N-tosyl-benzimidazole-5-carboxamide Formula: C27H27ClN4O4S MolecularWeight: 539.04568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(C=C2)N=C(N3CC4=C(C=C(C=C4)N5CCOCC5)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(C=C2)N=C(N3CC4=C(C=C(C=C4)N5CCOCC5)Cl)C

InChI

InChI=1S/C27H27ClN4O4S/c1-18-3-8-23(9-4-18)37(34,35)30-27(33)20-6-10-25-26(15-20)32(19(2)29-25)17-21-5-7-22(16-24(21)28)31-11-13-36-14-12-31/h3-10,15-16H,11-14,17H2,1-2H3,(H,30,33)