[2-methoxy-5-[(E)-(phenylsulfonylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[(E)-(phenylsulfonylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [5-[(E)-(benzenesulfonylhydrazono)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[(E)-(besylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6S2/c1-16-8-11-19(12-9-16)31(26,27)29-21-14-17(10-13-20(21)28-2)15-22-23-30(24,25)18-6-4-3-5-7-18/h3-15,23H,1-2H3/b22-15+