[3-acetamido-4-[propan-2-yloxycarbonyl-[(E)-N'-propan-2-yloxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate

Systemtic Name: [3-acetamido-4-[propan-2-yloxycarbonyl-[(E)-N'-propan-2-yloxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate Openeye Name: [3-acetamido-4-[isopropoxycarbonyl-[(E)-N'-isopropoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-acetamido-4-[[(E)-amino-[oxo(propan-2-yloxy)methyl]iminomethyl]-[oxo(propan-2-yloxy)methyl]amino]phenyl] ester IUPAC Name: [3-acetamido-4-[propan-2-yloxycarbonyl-[(E)-N'-propan-2-yloxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-acetamido-4-[isopropoxycarbonyl-[(E)-N'-isopropoxycarbonylamidino]amino]phenyl] ester Formula: C23H28N4O8S MolecularWeight: 520.55542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N=C(N)N(C1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)NC(=O)C)C(=O)OC(C)C

Isomeric SMILES

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

InChI

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