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

Systemtic Name: ethyl 3-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 3-methyl-4-phenyl-1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 3-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carboxylate Traditional Name: 3-methyl-4-phenyl-1-tosyl-isonipecotic acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1C)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1C)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO4S/c1-4-27-21(24)22(19-8-6-5-7-9-19)14-15-23(16-18(22)3)28(25,26)20-12-10-17(2)11-13-20/h5-13,18H,4,14-16H2,1-3H3