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

Systemtic Name: phenyl 4-acetamido-3-[ethanoyl-[(E)-N'-propoxycarbonylcarbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 4-acetamido-3-[acetyl-[(E)-N'-propoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 4-acetamido-3-[acetyl-[(E)-amino-[oxo(propoxy)methyl]iminomethyl]amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-acetamido-3-[acetyl-[(E)-N'-propoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 4-acetamido-3-[acetyl-[(E)-N'-propoxycarbonylamidino]amino]benzenesulfonic acid phenyl ester Formula: C21H24N4O7S MolecularWeight: 476.50286

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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)C

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)C

InChI

InChI=1S/C21H24N4O7S/c1-4-12-31-21(28)24-20(22)25(15(3)27)19-13-17(10-11-18(19)23-14(2)26)33(29,30)32-16-8-6-5-7-9-16/h5-11,13H,4,12H2,1-3H3,(H,23,26)(H2,22,24,28)