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

Systemtic Name: methyl 1-[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[2-[benzyl(p-tolylsulfonyl)amino]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[benzyl-(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[benzyl(tosyl)amino]benzoyl]isonipecotic acid methyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O5S/c1-21-12-14-24(15-13-21)36(33,34)30(20-22-8-4-3-5-9-22)26-11-7-6-10-25(26)27(31)29-18-16-23(17-19-29)28(32)35-2/h3-15,23H,16-20H2,1-2H3