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

Systemtic Name: tert-butyl 3-[(3-methoxycarbonylphenyl)methyl-[4-(trifluoromethyl)phenyl]sulfonyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(3-methoxycarbonylphenyl)methyl-[4-(trifluoromethyl)phenyl]sulfonyl-amino]piperidine-1-carboxylate CAS Name: 3-[(3-methoxycarbonylphenyl)methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(3-methoxycarbonylphenyl)methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate Traditional Name: 3-[(3-carbomethoxybenzyl)-[4-(trifluoromethyl)phenyl]sulfonyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H31F3N2O6S MolecularWeight: 556.59435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31F3N2O6S/c1-25(2,3)37-24(33)30-14-6-9-21(17-30)31(16-18-7-5-8-19(15-18)23(32)36-4)38(34,35)22-12-10-20(11-13-22)26(27,28)29/h5,7-8,10-13,15,21H,6,9,14,16-17H2,1-4H3