[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(phenylsulfonyl)propanoate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-1-phenyl-ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]-1-phenyl-ethyl] ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O6S/c1-15-14-18(23-29-15)22-21(25)20(16-8-4-2-5-9-16)28-19(24)12-13-30(26,27)17-10-6-3-7-11-17/h2-11,14,20H,12-13H2,1H3,(H,22,23,25)