3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)propionamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C22H26N4O4S/c27-21(23-17-8-11-19-20(15-17)25-22(28)24-19)12-7-16-5-9-18(10-6-16)31(29,30)26-13-3-1-2-4-14-26/h5-6,8-11,15H,1-4,7,12-14H2,(H,23,27)(H2,24,25,28)