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

Systemtic Name: phenyl 4-acetamido-3-[[(E)-N'-butoxycarbonylcarbamimidoyl]-ethanoyl-amino]benzenesulfonate Openeye Name: phenyl 4-acetamido-3-[acetyl-[(E)-N'-butoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 4-acetamido-3-[acetyl-[(E)-amino-[butoxy(oxo)methyl]iminomethyl]amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-acetamido-3-[acetyl-[(E)-N'-butoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 4-acetamido-3-[acetyl-[(E)-N'-butoxycarbonylamidino]amino]benzenesulfonic acid phenyl ester Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O7S/c1-4-5-13-32-22(29)25-21(23)26(16(3)28)20-14-18(11-12-19(20)24-15(2)27)34(30,31)33-17-9-7-6-8-10-17/h6-12,14H,4-5,13H2,1-3H3,(H,24,27)(H2,23,25,29)