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

Systemtic Name: phenyl 4-acetamido-3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 4-acetamido-3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 4-acetamido-3-[[(Z)-amino(methoxycarbonylimino)methyl]-methoxycarbonylamino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-acetamido-3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 4-acetamido-3-[carbomethoxy-[(Z)-N'-carbomethoxyamidino]amino]benzenesulfonic acid phenyl ester Formula: C19H20N4O8S MolecularWeight: 464.4491

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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)N(C(=NC(=O)OC)N)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O8S/c1-12(24)21-15-10-9-14(32(27,28)31-13-7-5-4-6-8-13)11-16(15)23(19(26)30-3)17(20)22-18(25)29-2/h4-11H,1-3H3,(H,21,24)(H2,20,22,25)