3-(azepan-1-ylcarbonyl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-[[2-(1-imidazolyl)phenyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(2-imidazol-1-ylbenzyl)-4-methoxy-benzenesulfonamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2N3C=CN=C3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2N3C=CN=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N4O4S/c1-32-23-11-10-20(16-21(23)24(29)27-13-6-2-3-7-14-27)33(30,31)26-17-19-8-4-5-9-22(19)28-15-12-25-18-28/h4-5,8-12,15-16,18,26H,2-3,6-7,13-14,17H2,1H3