[3-[(phenylmethyl)carbamoyl]phenyl] 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate

Systemtic Name: [3-[(phenylmethyl)carbamoyl]phenyl] 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate Openeye Name: [3-(benzylcarbamoyl)phenyl] 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate CAS Name: 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonic acid [3-[oxo-[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-(benzylcarbamoyl)phenyl] 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3-methyl-1,3-benzoxazole-6-sulfonic acid [3-(benzylcarbamoyl)phenyl] ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4)OC1=O

InChI

InChI=1S/C22H18N2O6S/c1-24-19-11-10-18(13-20(19)29-22(24)26)31(27,28)30-17-9-5-8-16(12-17)21(25)23-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,25)