2-phenoxyethyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-phenoxyethyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-phenoxyethyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid 2-phenoxyethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCOC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCOC3=CC=CC=C3)C

InChI

InChI=1S/C22H27NO5S/c1-17-8-9-21(16-18(17)2)29(25,26)23-12-10-19(11-13-23)22(24)28-15-14-27-20-6-4-3-5-7-20/h3-9,16,19H,10-15H2,1-2H3