[4-(1,3-dithiolan-2-yl)phenyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C24H29NO4S3 MolecularWeight: 491.68636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO4S3/c1-16-14-17(2)22(18(3)15-16)32(27,28)25-10-8-19(9-11-25)23(26)29-21-6-4-20(5-7-21)24-30-12-13-31-24/h4-7,14-15,19,24H,8-13H2,1-3H3