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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-methyl-2-oxo-benzimidazol-1-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(3-methyl-2-oxo-1-benzimidazolyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-keto-3-methyl-benzimidazol-1-yl)propionamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N4O4S/c1-25-20-11-4-5-12-21(20)27(23(25)29)16-13-22(28)24-18-9-8-10-19(17-18)32(30,31)26-14-6-2-3-7-15-26/h4-5,8-12,17H,2-3,6-7,13-16H2,1H3,(H,24,28)