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

Systemtic Name: [4-formamido-3-[[(E)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate Openeye Name: [4-formamido-3-[[(E)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[(E)-amino(methoxycarbonylimino)methyl]amino]-4-formamidophenyl] ester IUPAC Name: [4-formamido-3-[[(E)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[[(E)-N'-carbomethoxyamidino]amino]-4-formamido-phenyl] ester Formula: C16H16N4O6S MolecularWeight: 392.38644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O6S/c1-25-16(22)20-15(17)19-14-9-11(7-8-13(14)18-10-21)26-27(23,24)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,21)(H3,17,19,20,22)