[4-[(E)-[cyano(phenyl)methylidene]amino]oxysulfonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-[cyano(phenyl)methylidene]amino]oxysulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-[cyano(phenyl)methylene]amino]oxysulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[cyano(phenyl)methylidene]amino]oxysulfonylphenyl] ester IUPAC Name: [4-[(E)-[cyano(phenyl)methylidene]amino]oxysulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-[cyano(phenyl)methylene]amino]oxysulfonylphenyl] ester Formula: C21H16N2O6S2 MolecularWeight: 456.49154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O6S2/c1-16-7-11-19(12-8-16)30(24,25)28-18-9-13-20(14-10-18)31(26,27)29-23-21(15-22)17-5-3-2-4-6-17/h2-14H,1H3/b23-21-