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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C22H24ClNO5S3 MolecularWeight: 514.07766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClNO5S3/c1-28-20-14-16(22-30-12-13-31-22)2-7-19(20)29-21(25)15-8-10-24(11-9-15)32(26,27)18-5-3-17(23)4-6-18/h2-7,14-15,22H,8-13H2,1H3