[2-[2-[(Z)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenoxy]phenyl] 3-methylbenzenesulfonate

Systemtic Name: [2-[2-[(Z)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenoxy]phenyl] 3-methylbenzenesulfonate Openeye Name: [2-[2-[(Z)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenoxy]phenyl] 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid [2-[2-[(1Z)-1-methoxyimino-2-(methylamino)-2-oxoethyl]phenoxy]phenyl] ester IUPAC Name: [2-[2-[(Z)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenoxy]phenyl] 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid [2-[2-[(Z)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenoxy]phenyl] ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OC2=CC=CC=C2OC3=CC=CC=C3C(=NOC)C(=O)NC

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC2=CC=CC=C2OC3=CC=CC=C3/C(=N/OC)/C(=O)NC

InChI

InChI=1S/C23H22N2O6S/c1-16-9-8-10-17(15-16)32(27,28)31-21-14-7-6-13-20(21)30-19-12-5-4-11-18(19)22(25-29-3)23(26)24-2/h4-15H,1-3H3,(H,24,26)/b25-22-