(3S)-N-(cyanomethyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(cyanomethyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(cyanomethyl)-1-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(cyanomethyl)-1-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(cyanomethyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(cyanomethyl)-5-keto-1-[4-(4-methylpiperidino)sulfonylphenyl]pyrrolidine-3-carboxamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CC(CC3=O)C(=O)NCC#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C[C@H](CC3=O)C(=O)NCC#N

InChI

InChI=1S/C19H24N4O4S/c1-14-6-10-22(11-7-14)28(26,27)17-4-2-16(3-5-17)23-13-15(12-18(23)24)19(25)21-9-8-20/h2-5,14-15H,6-7,9-13H2,1H3,(H,21,25)/t15-/m0/s1