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

Systemtic Name: phenyl 3-acetamido-4-[[(E)-N'-ethoxycarbonylcarbamimidoyl]-(phenylcarbonyl)amino]benzenesulfonate Openeye Name: phenyl 3-acetamido-4-[benzoyl-[(E)-N'-ethoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 3-acetamido-4-[[(E)-amino(ethoxycarbonylimino)methyl]-benzoylamino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-acetamido-4-[benzoyl-[(E)-N'-ethoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 3-acetamido-4-[benzoyl-[(E)-N'-carbethoxyamidino]amino]benzenesulfonic acid phenyl ester Formula: C25H24N4O7S MolecularWeight: 524.54566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C(N)N(C1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=O)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/N=C(\N)/N(C1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=O)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H24N4O7S/c1-3-35-25(32)28-24(26)29(23(31)18-10-6-4-7-11-18)22-15-14-20(16-21(22)27-17(2)30)37(33,34)36-19-12-8-5-9-13-19/h4-16H,3H2,1-2H3,(H,27,30)(H2,26,28,32)