phenyl 4-acetamido-3-[propoxycarbonyl-[(E)-N'-propoxycarbonylcarbamimidoyl]amino]benzenesulfonate

Systemtic Name: phenyl 4-acetamido-3-[propoxycarbonyl-[(E)-N'-propoxycarbonylcarbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 4-acetamido-3-[propoxycarbonyl-[(E)-N'-propoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 4-acetamido-3-[[(E)-amino-[oxo(propoxy)methyl]iminomethyl]-[oxo(propoxy)methyl]amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-acetamido-3-[propoxycarbonyl-[(E)-N'-propoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 4-acetamido-3-[propoxycarbonyl-[(E)-N'-propoxycarbonylamidino]amino]benzenesulfonic acid phenyl ester Formula: C23H28N4O8S MolecularWeight: 520.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)N=C(N)N(C1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=O)C)C(=O)OCCC

Isomeric SMILES

CCCOC(=O)/N=C(\N)/N(C1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=O)C)C(=O)OCCC

InChI

InChI=1S/C23H28N4O8S/c1-4-13-33-22(29)26-21(24)27(23(30)34-14-5-2)20-15-18(11-12-19(20)25-16(3)28)36(31,32)35-17-9-7-6-8-10-17/h6-12,15H,4-5,13-14H2,1-3H3,(H,25,28)(H2,24,26,29)