ethyl 4-(3-chloranyl-2-methyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(3-chloranyl-2-methyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-(3-chloro-2-methyl-phenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 4-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 4-(3-chloro-2-methyl-phenyl)-1-tosyl-isonipecotic acid ethyl ester Formula: C22H26ClNO4S MolecularWeight: 435.96414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)C3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C22H26ClNO4S/c1-4-28-21(25)22(19-6-5-7-20(23)17(19)3)12-14-24(15-13-22)29(26,27)18-10-8-16(2)9-11-18/h5-11H,4,12-15H2,1-3H3