1-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(5-tert-butyl-2-methylphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(5-tert-butyl-2-methyl-phenyl)sulfonylisonipecotic acid Formula: C17H25NO4S MolecularWeight: 339.4497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C17H25NO4S/c1-12-5-6-14(17(2,3)4)11-15(12)23(21,22)18-9-7-13(8-10-18)16(19)20/h5-6,11,13H,7-10H2,1-4H3,(H,19,20)