phenyl 4-acetamido-3-[ethanoyl-[(E)-N'-(2-methylpropoxycarbonyl)carbamimidoyl]amino]benzenesulfonate

Systemtic Name: phenyl 4-acetamido-3-[ethanoyl-[(E)-N'-(2-methylpropoxycarbonyl)carbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 4-acetamido-3-[acetyl-[(E)-N'-isobutoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 4-acetamido-3-[acetyl-[(E)-amino-[2-methylpropoxy(oxo)methyl]iminomethyl]amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-acetamido-3-[acetyl-[(E)-N'-(2-methylpropoxycarbonyl)carbamimidoyl]amino]benzenesulfonate Traditional Name: 4-acetamido-3-[acetyl-[(E)-N'-isobutoxycarbonylamidino]amino]benzenesulfonic acid phenyl ester Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=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

CC(C)COC(=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/c1-14(2)13-32-22(29)25-21(23)26(16(4)28)20-12-18(10-11-19(20)24-15(3)27)34(30,31)33-17-8-6-5-7-9-17/h5-12,14H,13H2,1-4H3,(H,24,27)(H2,23,25,29)