phenyl 3-acetamido-4-[butoxycarbonyl-[(E)-N'-butoxycarbonylcarbamimidoyl]amino]benzenesulfonate

Systemtic Name: phenyl 3-acetamido-4-[butoxycarbonyl-[(E)-N'-butoxycarbonylcarbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 3-acetamido-4-[butoxycarbonyl-[(E)-N'-butoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 3-acetamido-4-[[(E)-amino-[butoxy(oxo)methyl]iminomethyl]-[butoxy(oxo)methyl]amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-acetamido-4-[butoxycarbonyl-[(E)-N'-butoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 3-acetamido-4-[butoxycarbonyl-[(E)-N'-butoxycarbonylamidino]amino]benzenesulfonic acid phenyl ester Formula: C25H32N4O8S MolecularWeight: 548.60858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N=C(N)N(C1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=O)C)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)/N=C(\N)/N(C1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=O)C)C(=O)OCCCC

InChI

InChI=1S/C25H32N4O8S/c1-4-6-15-35-24(31)28-23(26)29(25(32)36-16-7-5-2)22-14-13-20(17-21(22)27-18(3)30)38(33,34)37-19-11-9-8-10-12-19/h8-14,17H,4-7,15-16H2,1-3H3,(H,27,30)(H2,26,28,31)