N-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: N-[2-(1H-benzimidazol-2-ylamino)-2-keto-ethyl]-1-besyl-isonipecotamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC(=O)NC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC(=O)NC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

InChI

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