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

Systemtic Name: phenyl 4-acetamido-3-[ethanoyl-[(E)-N'-ethoxycarbonylcarbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 4-acetamido-3-[acetyl-[(E)-N'-ethoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 4-acetamido-3-[acetyl-[(E)-amino(ethoxycarbonylimino)methyl]amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-acetamido-3-[acetyl-[(E)-N'-ethoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 4-acetamido-3-[acetyl-[(E)-N'-carbethoxyamidino]amino]benzenesulfonic acid phenyl ester Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C20H22N4O7S/c1-4-30-20(27)23-19(21)24(14(3)26)18-12-16(10-11-17(18)22-13(2)25)32(28,29)31-15-8-6-5-7-9-15/h5-12H,4H2,1-3H3,(H,22,25)(H2,21,23,27)