N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(benzimidazol-1-yl)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(benzimidazol-1-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(benzimidazol-1-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(1-benzimidazolyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(benzimidazol-1-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(benzimidazol-1-yl)propionamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2C=NC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)N2C=NC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N4O3S/c1-17-11-12-19(15-22(17)31(29,30)26-13-7-3-4-8-14-26)25-23(28)18(2)27-16-24-20-9-5-6-10-21(20)27/h5-6,9-12,15-16,18H,3-4,7-8,13-14H2,1-2H3,(H,25,28)