1-(2,5-diethoxy-4-methyl-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(2,5-diethoxy-4-methyl-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(2,5-diethoxy-4-methyl-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(2,5-diethoxy-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(2,5-diethoxy-4-methyl-phenyl)sulfonylisonipecotic acid Formula: C17H25NO6S MolecularWeight: 371.4485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C)OCC)S(=O)(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1C)OCC)S(=O)(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C17H25NO6S/c1-4-23-14-11-16(15(24-5-2)10-12(14)3)25(21,22)18-8-6-13(7-9-18)17(19)20/h10-11,13H,4-9H2,1-3H3,(H,19,20)