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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCC(CC2)C(=O)O)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCC(CC2)C(=O)O)OC

InChI

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