[4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate

Systemtic Name: [4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate Openeye Name: [4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-acetamido-3-[[(Z)-amino(methoxycarbonylimino)methyl]amino]phenyl] ester IUPAC Name: [4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-acetamido-3-[[(Z)-N'-carbomethoxyamidino]amino]phenyl] ester Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)NC(=NC(=O)OC)N

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)N/C(=N\C(=O)OC)/N

InChI

InChI=1S/C17H18N4O6S/c1-11(22)19-14-9-8-12(10-15(14)20-16(18)21-17(23)26-2)27-28(24,25)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,22)(H3,18,20,21,23)