4-[2-(2,2-dimethylpropanoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid

Systemtic Name: 4-[2-(2,2-dimethylpropanoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-(2,2-dimethylpropanoylamino)-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-(2,2-dimethylpropanoylamino)-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[4-piperidinosulfonyl-2-(pivaloylamino)phenoxy]benzoic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H28N2O6S/c1-23(2,3)22(28)24-19-15-18(32(29,30)25-13-5-4-6-14-25)11-12-20(19)31-17-9-7-16(8-10-17)21(26)27/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,28)(H,26,27)