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

Systemtic Name: phenyl 4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-(2-phenoxyethanoyl)amino]benzenesulfonate Openeye Name: phenyl 4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-(2-phenoxyacetyl)amino]benzenesulfonate CAS Name: 4-acetamido-3-[[(Z)-amino(methoxycarbonylimino)methyl]-(1-oxo-2-phenoxyethyl)amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-(2-phenoxyacetyl)amino]benzenesulfonate Traditional Name: 4-acetamido-3-[[(Z)-N'-carbomethoxyamidino]-(2-phenoxyacetyl)amino]benzenesulfonic acid phenyl ester Formula: C25H24N4O8S MolecularWeight: 540.54506

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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(=O)COC3=CC=CC=C3)C(=NC(=O)OC)N

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N(C(=O)COC3=CC=CC=C3)/C(=N\C(=O)OC)/N

InChI

InChI=1S/C25H24N4O8S/c1-17(30)27-21-14-13-20(38(33,34)37-19-11-7-4-8-12-19)15-22(21)29(24(26)28-25(32)35-2)23(31)16-36-18-9-5-3-6-10-18/h3-15H,16H2,1-2H3,(H,27,30)(H2,26,28,32)