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

Systemtic Name: tert-butyl 3-[(4-cyanophenyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4-cyanophenyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]piperidine-1-carboxylate CAS Name: 3-[(4-cyanophenyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-cyanophenyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]piperidine-1-carboxylate Traditional Name: 3-[(4-carbomethoxybenzyl)-(4-cyanophenyl)sulfonyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H31N3O6S MolecularWeight: 513.60584

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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)C#N

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)C#N

InChI

InChI=1S/C26H31N3O6S/c1-26(2,3)35-25(31)28-15-5-6-22(18-28)29(17-20-7-11-21(12-8-20)24(30)34-4)36(32,33)23-13-9-19(16-27)10-14-23/h7-14,22H,5-6,15,17-18H2,1-4H3