(3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-(2-methylpropyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-(2-methylpropyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-isobutyl-1-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-N-(2-methylpropyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-isobutyl-5-keto-1-[4-(4-methylpiperidino)sulfonylphenyl]pyrrolidine-3-carboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4S/c1-15(2)13-22-21(26)17-12-20(25)24(14-17)18-4-6-19(7-5-18)29(27,28)23-10-8-16(3)9-11-23/h4-7,15-17H,8-14H2,1-3H3,(H,22,26)/t17-/m0/s1