[4-[(E)-3-azanyl-2-benzamido-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-3-azanyl-2-benzamido-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-amino-2-benzamido-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-3-amino-2-benzamido-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-amino-2-benzamido-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-amino-2-benzamido-3-keto-prop-1-enyl]phenyl] ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O5S/c1-16-7-13-20(14-8-16)31(28,29)30-19-11-9-17(10-12-19)15-21(22(24)26)25-23(27)18-5-3-2-4-6-18/h2-15H,1H3,(H2,24,26)(H,25,27)/b21-15+