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

Systemtic Name: (2S)-N-(4-butoxyphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-butoxyphenyl)-1-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-(4-butoxyphenyl)-1-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4-butoxyphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-butoxyphenyl)-1-(1-tosylisonipecotoyl)pyrrolidine-2-carboxamide Formula: C28H37N3O5S MolecularWeight: 527.67548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H37N3O5S/c1-3-4-20-36-24-11-9-23(10-12-24)29-27(32)26-6-5-17-31(26)28(33)22-15-18-30(19-16-22)37(34,35)25-13-7-21(2)8-14-25/h7-14,22,26H,3-6,15-20H2,1-2H3,(H,29,32)/t26-/m0/s1