1-tert-butyl-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-tert-butyl-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-tert-butyl-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-tert-butyl-4-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-tert-butyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-tert-butyl-4-(4-methoxyphenyl)sulfonyl-isonipecotic acid Formula: C17H25NO5S MolecularWeight: 355.4491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)N1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H25NO5S/c1-16(2,3)18-11-9-17(10-12-18,15(19)20)24(21,22)14-7-5-13(23-4)6-8-14/h5-8H,9-12H2,1-4H3,(H,19,20)