[4-acetamido-3-[ethoxycarbonyl-[(E)-N'-ethoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate

Systemtic Name: [4-acetamido-3-[ethoxycarbonyl-[(E)-N'-ethoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate Openeye Name: [4-acetamido-3-[ethoxycarbonyl-[(E)-N'-ethoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-acetamido-3-[[(E)-amino(ethoxycarbonylimino)methyl]-ethoxycarbonylamino]phenyl] ester IUPAC Name: [4-acetamido-3-[ethoxycarbonyl-[(E)-N'-ethoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-acetamido-3-[carbethoxy-[(E)-N'-carbethoxyamidino]amino]phenyl] ester Formula: C21H24N4O8S MolecularWeight: 492.50226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C(N)N(C1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)NC(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)/N=C(\N)/N(C1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)NC(=O)C)C(=O)OCC

InChI

InChI=1S/C21H24N4O8S/c1-4-31-20(27)24-19(22)25(21(28)32-5-2)18-13-15(11-12-17(18)23-14(3)26)33-34(29,30)16-9-7-6-8-10-16/h6-13H,4-5H2,1-3H3,(H,23,26)(H2,22,24,27)