2-[[4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenyl]sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenyl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-[3-(4-methoxyphenyl)isoxazol-5-yl]phenyl]sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[[4-[3-(4-methoxyphenyl)-5-isoxazolyl]phenyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[[4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenyl]sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[[4-[3-(4-methoxyphenyl)isoxazol-5-yl]phenyl]sulfonylamino]-3-methyl-butyric acid Formula: C21H22N2O6S MolecularWeight: 430.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N2O6S/c1-13(2)20(21(24)25)23-30(26,27)17-10-6-15(7-11-17)19-12-18(22-29-19)14-4-8-16(28-3)9-5-14/h4-13,20,23H,1-3H3,(H,24,25)