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

Systemtic Name: phenyl 4-acetamido-3-[2-ethoxyethanoyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 4-acetamido-3-[(2-ethoxyacetyl)-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 4-acetamido-3-[[(Z)-amino(methoxycarbonylimino)methyl]-(2-ethoxy-1-oxoethyl)amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-acetamido-3-[(2-ethoxyacetyl)-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 4-acetamido-3-[[(Z)-N'-carbomethoxyamidino]-(2-ethoxyacetyl)amino]benzenesulfonic acid phenyl ester Formula: C21H24N4O8S MolecularWeight: 492.50226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O8S/c1-4-32-13-19(27)25(20(22)24-21(28)31-3)18-12-16(10-11-17(18)23-14(2)26)34(29,30)33-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3,(H,23,26)(H2,22,24,28)