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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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