[4-(benzimidazol-1-yl)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: [4-(benzimidazol-1-yl)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-(benzimidazol-1-yl)phenyl]-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(1-benzimidazolyl)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(benzimidazol-1-yl)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: [4-(benzimidazol-1-yl)phenyl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C26H26N4O3S/c1-20-7-13-23(14-8-20)34(32,33)29-16-4-15-28(17-18-29)26(31)21-9-11-22(12-10-21)30-19-27-24-5-2-3-6-25(24)30/h2-3,5-14,19H,4,15-18H2,1H3