[4-(1,3-dithiolan-2-yl)phenyl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,4-dimethylphenyl)sulfonylisonipecotic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C23H27NO4S3 MolecularWeight: 477.65978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)C4SCCS4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)C4SCCS4)C

InChI

InChI=1S/C23H27NO4S3/c1-16-3-8-21(17(2)15-16)31(26,27)24-11-9-18(10-12-24)22(25)28-20-6-4-19(5-7-20)23-29-13-14-30-23/h3-8,15,18,23H,9-14H2,1-2H3