(3S)-N-[(2S)-1-oxidanylidene-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2S)-1-oxidanylidene-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[(1S)-1-benzyl-2-oxo-2-(3-pyridylamino)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-1-oxo-3-phenyl-1-(3-pyridinylamino)propan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-[(1S)-1-benzyl-2-keto-2-(3-pyridylamino)ethyl]-1-besyl-nipecotamide Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C26H28N4O4S/c31-25(21-11-8-16-30(19-21)35(33,34)23-13-5-2-6-14-23)29-24(17-20-9-3-1-4-10-20)26(32)28-22-12-7-15-27-18-22/h1-7,9-10,12-15,18,21,24H,8,11,16-17,19H2,(H,28,32)(H,29,31)/t21-,24-/m0/s1