(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-(propan-2-ylamino)propan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-(propan-2-ylamino)propan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-[(1S)-1-benzyl-2-(isopropylamino)-2-oxo-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-[(1S)-1-benzyl-2-(isopropylamino)-2-keto-ethyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H33N3O5S/c1-18(2)26-25(30)23(16-19-8-5-4-6-9-19)27-24(29)20-10-7-15-28(17-20)34(31,32)22-13-11-21(33-3)12-14-22/h4-6,8-9,11-14,18,20,23H,7,10,15-17H2,1-3H3,(H,26,30)(H,27,29)/t20-,23-/m0/s1