(4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)S(=O)(=O)C4=CC=CC=C4

InChI

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