[2-[(4-methyl-5-oxidanylidene-2-phenyl-1,3-oxazol-4-yl)methyl]pyridin-3-yl] benzenesulfonate

Systemtic Name: [2-[(4-methyl-5-oxidanylidene-2-phenyl-1,3-oxazol-4-yl)methyl]pyridin-3-yl] benzenesulfonate Openeye Name: [2-[(4-methyl-5-oxo-2-phenyl-oxazol-4-yl)methyl]-3-pyridyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(4-methyl-5-oxo-2-phenyl-4-oxazolyl)methyl]-3-pyridinyl] ester IUPAC Name: [2-[(4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl)methyl]pyridin-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(5-keto-4-methyl-2-phenyl-2-oxazolin-4-yl)methyl]-3-pyridyl] ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)OC(=N1)C2=CC=CC=C2)CC3=C(C=CC=N3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1(C(=O)OC(=N1)C2=CC=CC=C2)CC3=C(C=CC=N3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O5S/c1-22(21(25)28-20(24-22)16-9-4-2-5-10-16)15-18-19(13-8-14-23-18)29-30(26,27)17-11-6-3-7-12-17/h2-14H,15H2,1H3