N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)piperidine-4-carboxamide CAS Name: N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-(2-keto-1,3-dimethyl-benzimidazol-5-yl)isonipecotamide Formula: C22H26N4O4S MolecularWeight: 442.53124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C22H26N4O4S/c1-24-19-9-8-18(14-20(19)25(2)22(24)28)23-21(27)17-10-12-26(13-11-17)31(29,30)15-16-6-4-3-5-7-16/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,27)