1-cyclopropyl-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-cyclopropyl-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-cyclopropyl-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-cyclopropyl-4-(4-phenoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-cyclopropyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-cyclopropyl-4-(4-phenoxyphenyl)sulfonyl-isonipecotic acid Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC1N2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H23NO5S/c23-20(24)21(12-14-22(15-13-21)16-6-7-16)28(25,26)19-10-8-18(9-11-19)27-17-4-2-1-3-5-17/h1-5,8-11,16H,6-7,12-15H2,(H,23,24)