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

Systemtic Name: [4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-acetamido-3-[[(Z)-amino(methoxycarbonylimino)methyl]amino]phenyl] ester IUPAC Name: [4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-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=C(C=C2)Cl)NC(=NC(=O)OC)N

Isomeric SMILES

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

InChI

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