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

Systemtic Name: (3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxidanylidene-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide Openeye Name: (3S)-1-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-5-oxo-N-(2-pyridylmethyl)pyrrolidine-3-carboxamide CAS Name: (3S)-1-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-5-oxo-N-(2-pyridinylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-1-[4-(4-methylpiperidino)sulfonylphenyl]-N-(2-pyridylmethyl)pyrrolidine-3-carboxamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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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)NCC4=CC=CC=N4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C[C@H](CC3=O)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C23H28N4O4S/c1-17-9-12-26(13-10-17)32(30,31)21-7-5-20(6-8-21)27-16-18(14-22(27)28)23(29)25-15-19-4-2-3-11-24-19/h2-8,11,17-18H,9-10,12-16H2,1H3,(H,25,29)/t18-/m0/s1