[4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 2-chloranylbenzenesulfonate Openeye Name: [4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [4-acetamido-3-[[(Z)-amino(methoxycarbonylimino)methyl]amino]phenyl] ester IUPAC Name: [4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [4-acetamido-3-[[(Z)-N'-carbomethoxyamidino]amino]phenyl] ester Formula: C17H17ClN4O6S MolecularWeight: 440.85808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2Cl)NC(=NC(=O)OC)N

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2Cl)N/C(=N\C(=O)OC)/N

InChI

InChI=1S/C17H17ClN4O6S/c1-10(23)20-13-8-7-11(9-14(13)21-16(19)22-17(24)27-2)28-29(25,26)15-6-4-3-5-12(15)18/h3-9H,1-2H3,(H,20,23)(H3,19,21,22,24)