[4-[(E)-(phenylsulfonylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-[(E)-(phenylsulfonylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-(benzenesulfonylhydrazono)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(E)-(besylhydrazono)methyl]phenyl] ester Formula: C20H17N3O7S2 MolecularWeight: 475.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=N/NS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7S2/c1-15-7-12-19(13-20(15)23(24)25)32(28,29)30-17-10-8-16(9-11-17)14-21-22-31(26,27)18-5-3-2-4-6-18/h2-14,22H,1H3/b21-14+