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

Systemtic Name: N-(4-butylphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-butylphenyl)-1-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide CAS Name: N-(4-butylphenyl)-1-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-butylphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-butylphenyl)-1-(1-tosylisonipecotoyl)pyrrolidine-2-carboxamide Formula: C28H37N3O4S MolecularWeight: 511.67608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H37N3O4S/c1-3-4-6-22-10-12-24(13-11-22)29-27(32)26-7-5-18-31(26)28(33)23-16-19-30(20-17-23)36(34,35)25-14-8-21(2)9-15-25/h8-15,23,26H,3-7,16-20H2,1-2H3,(H,29,32)