1-[3-(4-chlorophenyl)sulfonyl-2,5-dimethyl-phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3-(4-chlorophenyl)sulfonyl-2,5-dimethyl-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-(4-chlorophenyl)sulfonyl-2,5-dimethyl-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylphenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylphenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[3-(4-chlorophenyl)sulfonyl-2,5-dimethyl-phenyl]sulfonylisonipecotic acid Formula: C20H22ClNO6S2 MolecularWeight: 471.97478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)C)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)C)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClNO6S2/c1-13-11-18(29(25,26)17-5-3-16(21)4-6-17)14(2)19(12-13)30(27,28)22-9-7-15(8-10-22)20(23)24/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,24)