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

Systemtic Name: [4-[(Z)-3-azanyl-2-benzamido-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(Z)-3-amino-2-benzamido-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(Z)-3-amino-2-benzamido-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-3-amino-2-benzamido-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(Z)-3-amino-2-benzamido-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O6S/c1-16-8-11-19(12-9-16)33(29,30)32-21-13-10-17(15-22(21)31-2)14-20(23(25)27)26-24(28)18-6-4-3-5-7-18/h3-15H,1-2H3,(H2,25,27)(H,26,28)/b20-14-