4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-1-methyl-piperidine-4-carboxylic acid

Systemtic Name: 4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-1-methyl-piperidine-4-carboxylic acid Openeye Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-methyl-piperidine-4-carboxylic acid CAS Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-methyl-4-piperidinecarboxylic acid IUPAC Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-methylpiperidine-4-carboxylic acid Traditional Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-methyl-isonipecotic acid Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClNO5S/c1-21-12-10-19(11-13-21,18(22)23)27(24,25)17-8-6-16(7-9-17)26-15-4-2-14(20)3-5-15/h2-9H,10-13H2,1H3,(H,22,23)