phenyl 4-benzamido-3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate

Systemtic Name: phenyl 4-benzamido-3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 4-benzamido-3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 3-[[(E)-amino(methoxycarbonylimino)methyl]-methoxycarbonylamino]-4-benzamidobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-benzamido-3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 4-benzamido-3-[carbomethoxy-[(E)-N'-carbomethoxyamidino]amino]benzenesulfonic acid phenyl ester Formula: C24H22N4O8S MolecularWeight: 526.51848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N=C(N)N(C1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)/N=C(\N)/N(C1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H22N4O8S/c1-34-23(30)27-22(25)28(24(31)35-2)20-15-18(37(32,33)36-17-11-7-4-8-12-17)13-14-19(20)26-21(29)16-9-5-3-6-10-16/h3-15H,1-2H3,(H,26,29)(H2,25,27,30)