tert-butyl 4-[[butyl(methoxycarbonyl)amino]methyl]-2-(3-chlorophenyl)sulfonyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[butyl(methoxycarbonyl)amino]methyl]-2-(3-chlorophenyl)sulfonyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[butyl(methoxycarbonyl)amino]methyl]-2-(3-chlorophenyl)sulfonyl-piperidine-1-carboxylate CAS Name: 4-[[butyl(methoxycarbonyl)amino]methyl]-2-(3-chlorophenyl)sulfonyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[butyl(methoxycarbonyl)amino]methyl]-2-(3-chlorophenyl)sulfonylpiperidine-1-carboxylate Traditional Name: 4-[[butyl(carbomethoxy)amino]methyl]-2-(3-chlorophenyl)sulfonyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C23H35ClN2O6S MolecularWeight: 503.0518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1CCN(C(C1)S(=O)(=O)C2=CC(=CC=C2)Cl)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CCCCN(CC1CCN(C(C1)S(=O)(=O)C2=CC(=CC=C2)Cl)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C23H35ClN2O6S/c1-6-7-12-25(21(27)31-5)16-17-11-13-26(22(28)32-23(2,3)4)20(14-17)33(29,30)19-10-8-9-18(24)15-19/h8-10,15,17,20H,6-7,11-14,16H2,1-5H3