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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(4-isopropylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-cumenylsulfonylisonipecotic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C24H29NO4S3 MolecularWeight: 491.68636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO4S3/c1-17(2)18-5-9-22(10-6-18)32(27,28)25-13-11-19(12-14-25)23(26)29-21-7-3-20(4-8-21)24-30-15-16-31-24/h3-10,17,19,24H,11-16H2,1-2H3