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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(4-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylisonipecotic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C23H25NO5S3 MolecularWeight: 491.6433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5S3/c1-16(25)17-4-8-21(9-5-17)32(27,28)24-12-10-18(11-13-24)22(26)29-20-6-2-19(3-7-20)23-30-14-15-31-23/h2-9,18,23H,10-15H2,1H3