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

Systemtic Name: (4-methylphenyl)methyl 1-(3-ethanoylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: p-tolylmethyl 1-(3-acetylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 1-(3-acetylphenyl)sulfonyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonyl-4-phenyl-isonipecotic acid (4-methylbenzyl) ester Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C28H29NO5S/c1-21-11-13-23(14-12-21)20-34-27(31)28(25-8-4-3-5-9-25)15-17-29(18-16-28)35(32,33)26-10-6-7-24(19-26)22(2)30/h3-14,19H,15-18,20H2,1-2H3