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

Systemtic Name: [4-acetamido-3-[butoxycarbonyl-[(E)-N'-butoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate Openeye Name: [4-acetamido-3-[butoxycarbonyl-[(E)-N'-butoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-acetamido-3-[[(E)-amino-[butoxy(oxo)methyl]iminomethyl]-[butoxy(oxo)methyl]amino]phenyl] ester IUPAC Name: [4-acetamido-3-[butoxycarbonyl-[(E)-N'-butoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-acetamido-3-[butoxycarbonyl-[(E)-N'-butoxycarbonylamidino]amino]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=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)NC(=O)C)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)/N=C(\N)/N(C1=C(C=CC(=C1)OS(=O)(=O)C2=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)22-17-19(13-14-21(22)27-18(3)30)37-38(33,34)20-11-9-8-10-12-20/h8-14,17H,4-7,15-16H2,1-3H3,(H,27,30)(H2,26,28,31)