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

Systemtic Name: tert-butyl 3-[(4-cyanophenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4-cyanophenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]piperidine-1-carboxylate CAS Name: 3-[(4-cyanophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-cyanophenyl)methyl-(4-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate Traditional Name: 3-[(4-cyanobenzyl)-(4-methoxyphenyl)sulfonyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5S/c1-25(2,3)33-24(29)27-15-5-6-21(18-27)28(17-20-9-7-19(16-26)8-10-20)34(30,31)23-13-11-22(32-4)12-14-23/h7-14,21H,5-6,15,17-18H2,1-4H3