(3R)-1-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]piperidine-3-carboxamide Openeye Name: (3R)-1-[(1S)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]piperidine-3-carboxamide CAS Name: (3R)-1-[(2S)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]piperidine-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]nipecotamide Formula: C19H28N4O4S MolecularWeight: 408.51502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N3CCCC(C3)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C19H28N4O4S/c1-14(22-10-4-5-15(13-22)18(20)24)19(25)21-16-6-8-17(9-7-16)28(26,27)23-11-2-3-12-23/h6-9,14-15H,2-5,10-13H2,1H3,(H2,20,24)(H,21,25)/t14-,15+/m0/s1