(4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H28N2O5S/c27-23(25-14-4-5-15-25)20-10-8-19(9-11-20)18-31-24(28)21-12-16-26(17-13-21)32(29,30)22-6-2-1-3-7-22/h1-3,6-11,21H,4-5,12-18H2