(3-chlorophenyl) 4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate

Systemtic Name: (3-chlorophenyl) 4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Openeye Name: (3-chlorophenyl) 4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 4-acetamido-3-[[(Z)-amino(methoxycarbonylimino)methyl]amino]benzenesulfonic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 4-acetamido-3-[[(Z)-N'-carbomethoxyamidino]amino]benzenesulfonic acid (3-chlorophenyl) ester Formula: C17H17ClN4O6S MolecularWeight: 440.85808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=CC=C2)Cl)NC(=NC(=O)OC)N

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=CC=C2)Cl)N/C(=N\C(=O)OC)/N

InChI

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