(4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4)C

InChI

InChI=1S/C27H34N2O5S/c1-19-16-20(2)25(21(3)17-19)35(32,33)29-14-10-24(11-15-29)27(31)34-18-22-6-8-23(9-7-22)26(30)28-12-4-5-13-28/h6-9,16-17,24H,4-5,10-15,18H2,1-3H3