2-[[4-[(4-methyl-1,3-oxazol-2-yl)carbonylamino]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid

Systemtic Name: 2-[[4-[(4-methyl-1,3-oxazol-2-yl)carbonylamino]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Openeye Name: 2-[[4-[(4-methyloxazole-2-carbonyl)amino]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid CAS Name: 2-[[4-[[(4-methyl-2-oxazolyl)-oxomethyl]amino]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid IUPAC Name: 2-[[4-[(4-methyl-1,3-oxazole-2-carbonyl)amino]phenyl]sulfonylamino]-5-phenylpent-4-ynoic acid Traditional Name: 2-[[4-[(4-methyloxazole-2-carbonyl)amino]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Formula: C22H19N3O6S MolecularWeight: 453.46776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=COC(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=COC(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H19N3O6S/c1-15-14-31-21(23-15)20(26)24-17-10-12-18(13-11-17)32(29,30)25-19(22(27)28)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-14,19,25H,9H2,1H3,(H,24,26)(H,27,28)