[4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(3-oxo-3-phenyl-propanoyl)amino]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(1,3-dioxo-3-phenylpropyl)amino]phenyl] ester IUPAC Name: [4-[(3-oxo-3-phenylpropanoyl)amino]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(3-keto-3-phenyl-propanoyl)amino]phenyl] ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19NO5S/c1-16-7-13-20(14-8-16)29(26,27)28-19-11-9-18(10-12-19)23-22(25)15-21(24)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,23,25)