(phenylmethyl) 3-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (phenylmethyl) 3-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: benzyl 3-methyl-4-phenyl-1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 3-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carboxylate Traditional Name: 3-methyl-4-phenyl-1-tosyl-isonipecotic acid benzyl ester Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CN(CCC1(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H29NO4S/c1-21-13-15-25(16-14-21)33(30,31)28-18-17-27(22(2)19-28,24-11-7-4-8-12-24)26(29)32-20-23-9-5-3-6-10-23/h3-16,22H,17-20H2,1-2H3