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

Systemtic Name: methyl 1-[4-[(2-methylphenyl)methyl-methylsulfonyl-amino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[methylsulfonyl(o-tolylmethyl)amino]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(2-methylphenyl)methyl-methylsulfonylamino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(2-methylphenyl)methyl-methylsulfonylamino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[mesyl-(2-methylbenzyl)amino]benzoyl]isonipecotic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C23H28N2O5S/c1-17-6-4-5-7-20(17)16-25(31(3,28)29)21-10-8-18(9-11-21)22(26)24-14-12-19(13-15-24)23(27)30-2/h4-11,19H,12-16H2,1-3H3