(3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3R)-1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: (3R)-1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]piperidine-3-carboxamide Traditional Name: (3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-keto-ethyl]-1-besyl-nipecotamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC(=O)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC(=O)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N5O4S/c27-19(25-21-23-17-10-4-5-11-18(17)24-21)13-22-20(28)15-7-6-12-26(14-15)31(29,30)16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2,(H,22,28)(H2,23,24,25,27)/t15-/m1/s1