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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C3SCCS3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C3SCCS3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClNO4S3/c22-17-3-7-19(8-4-17)30(25,26)23-11-9-15(10-12-23)20(24)27-18-5-1-16(2-6-18)21-28-13-14-29-21/h1-8,15,21H,9-14H2