ethyl 4-(4-chlorophenyl)sulfonyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)sulfonyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)sulfonyl-1-(p-tolylmethyl)piperidine-4-carboxylate CAS Name: 4-(4-chlorophenyl)sulfonyl-1-[(4-methylphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)sulfonyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-(4-chlorophenyl)sulfonyl-1-(4-methylbenzyl)isonipecotic acid ethyl ester Formula: C22H26ClNO4S MolecularWeight: 435.96414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClNO4S/c1-3-28-21(25)22(29(26,27)20-10-8-19(23)9-11-20)12-14-24(15-13-22)16-18-6-4-17(2)5-7-18/h4-11H,3,12-16H2,1-2H3