2-[4-[2-[4-(phenylsulfonyl)phenyl]ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[4-[2-[4-(phenylsulfonyl)phenyl]ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[4-[2-[4-(benzenesulfonyl)phenyl]ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[4-[2-[4-(benzenesulfonyl)phenyl]ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[4-[2-[4-(benzenesulfonyl)phenyl]ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[4-[2-(4-besylphenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Formula: C27H29N5O3S MolecularWeight: 503.61586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC3=C(C=CC=C3N2)C(=O)N)CCC4=CC=C(C=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C2=NC3=C(C=CC=C3N2)C(=O)N)CCC4=CC=C(C=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O3S/c28-26(33)23-8-4-9-24-25(23)30-27(29-24)32-16-5-15-31(18-19-32)17-14-20-10-12-22(13-11-20)36(34,35)21-6-2-1-3-7-21/h1-4,6-13H,5,14-19H2,(H2,28,33)(H,29,30)