(2S)-N-(2,5-dimethylphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-1-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-1-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-1-(1-tosylisonipecotoyl)pyrrolidine-2-carboxamide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@H]3C(=O)NC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C26H33N3O4S/c1-18-7-10-22(11-8-18)34(32,33)28-15-12-21(13-16-28)26(31)29-14-4-5-24(29)25(30)27-23-17-19(2)6-9-20(23)3/h6-11,17,21,24H,4-5,12-16H2,1-3H3,(H,27,30)/t24-/m0/s1