[4-formamido-3-[methoxycarbonyl-(N'-methylcarbamimidoyl)amino]phenyl] benzenesulfonate

Systemtic Name: [4-formamido-3-[methoxycarbonyl-(N'-methylcarbamimidoyl)amino]phenyl] benzenesulfonate Openeye Name: [4-formamido-3-[methoxycarbonyl-(N'-methylcarbamimidoyl)amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[amino(methylimino)methyl]-methoxycarbonylamino]-4-formamidophenyl] ester IUPAC Name: [4-formamido-3-[methoxycarbonyl-(N'-methylcarbamimidoyl)amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[carbomethoxy-(N'-methylamidino)amino]-4-formamido-phenyl] ester Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O6S/c1-19-16(18)21(17(23)26-2)15-10-12(8-9-14(15)20-11-22)27-28(24,25)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,18,19)(H,20,22)