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

Systemtic Name: [2-[[5-oxidanylidene-2-phenyl-4-(phenylmethyl)-1,3-oxazol-4-yl]methyl]pyridin-3-yl] benzenesulfonate Openeye Name: [2-[(4-benzyl-5-oxo-2-phenyl-oxazol-4-yl)methyl]-3-pyridyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[[5-oxo-2-phenyl-4-(phenylmethyl)-4-oxazolyl]methyl]-3-pyridinyl] ester IUPAC Name: [2-[(4-benzyl-5-oxo-2-phenyl-1,3-oxazol-4-yl)methyl]pyridin-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(4-benzyl-5-keto-2-phenyl-2-oxazolin-4-yl)methyl]-3-pyridyl] ester Formula: C28H22N2O5S MolecularWeight: 498.54968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2(C(=O)OC(=N2)C3=CC=CC=C3)CC4=C(C=CC=N4)OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC2(C(=O)OC(=N2)C3=CC=CC=C3)CC4=C(C=CC=N4)OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H22N2O5S/c31-27-28(19-21-11-4-1-5-12-21,30-26(34-27)22-13-6-2-7-14-22)20-24-25(17-10-18-29-24)35-36(32,33)23-15-8-3-9-16-23/h1-18H,19-20H2