1-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(4-methoxy-2,5-dimethyl-phenyl)sulfonylisonipecotic acid Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CCC(CC2)C(=O)O)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CCC(CC2)C(=O)O)C)OC

InChI

InChI=1S/C15H21NO5S/c1-10-9-14(11(2)8-13(10)21-3)22(19,20)16-6-4-12(5-7-16)15(17)18/h8-9,12H,4-7H2,1-3H3,(H,17,18)