tert-butyl 3-[(4-methoxycarbonylphenyl)methyl-(4-phenylphenyl)sulfonyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(4-methoxycarbonylphenyl)methyl-(4-phenylphenyl)sulfonyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4-methoxycarbonylphenyl)methyl-(4-phenylphenyl)sulfonyl-amino]piperidine-1-carboxylate CAS Name: 3-[(4-methoxycarbonylphenyl)methyl-(4-phenylphenyl)sulfonylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-methoxycarbonylphenyl)methyl-(4-phenylphenyl)sulfonylamino]piperidine-1-carboxylate Traditional Name: 3-[(4-carbomethoxybenzyl)-(4-phenylphenyl)sulfonyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H36N2O6S MolecularWeight: 564.69234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H36N2O6S/c1-31(2,3)39-30(35)32-20-8-11-27(22-32)33(21-23-12-14-26(15-13-23)29(34)38-4)40(36,37)28-18-16-25(17-19-28)24-9-6-5-7-10-24/h5-7,9-10,12-19,27H,8,11,20-22H2,1-4H3