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

Systemtic Name: (3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxidanylidene-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Openeye Name: (3S)-1-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide CAS Name: (3S)-1-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-5-oxo-N-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-1-[4-(4-methylpiperidino)sulfonylphenyl]-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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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)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C[C@H](CC3=O)C(=O)N[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O4S/c1-18-12-14-27(15-13-18)33(31,32)23-10-8-22(9-11-23)28-17-21(16-24(28)29)25(30)26-19(2)20-6-4-3-5-7-20/h3-11,18-19,21H,12-17H2,1-2H3,(H,26,30)/t19-,21+/m1/s1