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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylnipecotic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C21H22ClNO4S3 MolecularWeight: 484.05168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C21H22ClNO4S3/c22-17-5-9-19(10-6-17)30(25,26)23-11-1-2-16(14-23)20(24)27-18-7-3-15(4-8-18)21-28-12-13-29-21/h3-10,16,21H,1-2,11-14H2