4-(3-chloranyl-2-methyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(3-chloranyl-2-methyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 4-(3-chloro-2-methyl-phenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxylic acid CAS Name: 4-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 4-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-(3-chloro-2-methyl-phenyl)-1-tosyl-isonipecotic acid Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO4S/c1-14-6-8-16(9-7-14)27(25,26)22-12-10-20(11-13-22,19(23)24)17-4-3-5-18(21)15(17)2/h3-9H,10-13H2,1-2H3,(H,23,24)