methyl 1-[2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[2-[(4-chlorophenyl)methyl-(p-tolylsulfonyl)amino]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-chlorobenzyl)-tosyl-amino]benzoyl]isonipecotic acid methyl ester Formula: C28H29ClN2O5S MolecularWeight: 541.05826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3C(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3C(=O)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C28H29ClN2O5S/c1-20-7-13-24(14-8-20)37(34,35)31(19-21-9-11-23(29)12-10-21)26-6-4-3-5-25(26)27(32)30-17-15-22(16-18-30)28(33)36-2/h3-14,22H,15-19H2,1-2H3