[4-[3-diazanyl-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-propyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[3-diazanyl-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[3-hydrazino-3-oxo-2-(p-tolylsulfonylamino)propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[3-hydrazinyl-2-[(4-methylphenyl)sulfonylamino]-3-oxopropyl]phenyl] ester IUPAC Name: [4-[3-hydrazinyl-2-[(4-methylphenyl)sulfonylamino]-3-oxopropyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[3-hydrazino-3-keto-2-(tosylamino)propyl]phenyl] ester Formula: C23H25N3O6S2 MolecularWeight: 503.5911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)NN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)NN

InChI

InChI=1S/C23H25N3O6S2/c1-16-3-11-20(12-4-16)33(28,29)26-22(23(27)25-24)15-18-7-9-19(10-8-18)32-34(30,31)21-13-5-17(2)6-14-21/h3-14,22,26H,15,24H2,1-2H3,(H,25,27)