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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-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(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

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

InChI

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