phenyl 3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-phenylethanoylamino)benzenesulfonate

Systemtic Name: phenyl 3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-phenylethanoylamino)benzenesulfonate Openeye Name: phenyl 3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]-4-[(2-phenylacetyl)amino]benzenesulfonate CAS Name: 3-[[(E)-amino(methoxycarbonylimino)methyl]-methoxycarbonylamino]-4-[(1-oxo-2-phenylethyl)amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]-4-[(2-phenylacetyl)amino]benzenesulfonate Traditional Name: 3-[carbomethoxy-[(E)-N'-carbomethoxyamidino]amino]-4-[(2-phenylacetyl)amino]benzenesulfonic acid phenyl ester Formula: C25H24N4O8S MolecularWeight: 540.54506

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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)CC3=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)CC3=CC=CC=C3)C(=O)OC

InChI

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