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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1H-benzimidazol-2-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1H-benzimidazol-2-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(1H-benzimidazol-2-yl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(1H-benzimidazol-2-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1H-benzimidazol-2-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)CCC2=NC3=CC=CC=C3N2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3N2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N4O3S/c1-17-10-11-18(16-21(17)31(29,30)27-14-6-2-3-7-15-27)24-23(28)13-12-22-25-19-8-4-5-9-20(19)26-22/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3,(H,24,28)(H,25,26)