(phenylmethyl) 4-[(4-methylsulfonylphenyl)methylcarbamoyl]-4-phenyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(4-methylsulfonylphenyl)methylcarbamoyl]-4-phenyl-piperidine-1-carboxylate Openeye Name: benzyl 4-[(4-methylsulfonylphenyl)methylcarbamoyl]-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[[(4-methylsulfonylphenyl)methylamino]-oxomethyl]-4-phenyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-methylsulfonylphenyl)methylcarbamoyl]-4-phenylpiperidine-1-carboxylate Traditional Name: 4-[(4-mesylbenzyl)carbamoyl]-4-phenyl-piperidine-1-carboxylic acid benzyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O5S/c1-36(33,34)25-14-12-22(13-15-25)20-29-26(31)28(24-10-6-3-7-11-24)16-18-30(19-17-28)27(32)35-21-23-8-4-2-5-9-23/h2-15H,16-21H2,1H3,(H,29,31)