(2S)-1-(4-methylphenyl)sulfonyl-N-[(4-piperidin-1-ylcarbonylphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[(4-piperidin-1-ylcarbonylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-(piperidine-1-carbonyl)benzyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-19-7-13-22(14-8-19)33(31,32)28-17-5-6-23(28)24(29)26-18-20-9-11-21(12-10-20)25(30)27-15-3-2-4-16-27/h7-14,23H,2-6,15-18H2,1H3,(H,26,29)/t23-/m0/s1