(2S)-N-(4-methylphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(4-methylphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(p-tolyl)-1-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-(4-methylphenyl)-1-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4-methylphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(p-tolyl)-1-(1-tosylisonipecotoyl)pyrrolidine-2-carboxamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H31N3O4S/c1-18-5-9-21(10-6-18)26-24(29)23-4-3-15-28(23)25(30)20-13-16-27(17-14-20)33(31,32)22-11-7-19(2)8-12-22/h5-12,20,23H,3-4,13-17H2,1-2H3,(H,26,29)/t23-/m0/s1