phenyl 4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-propanoyl-amino]benzenesulfonate

Systemtic Name: phenyl 4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-propanoyl-amino]benzenesulfonate Openeye Name: phenyl 4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-propanoyl-amino]benzenesulfonate CAS Name: 4-acetamido-3-[[(Z)-amino(methoxycarbonylimino)methyl]-(1-oxopropyl)amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-acetamido-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-propanoylamino]benzenesulfonate Traditional Name: 4-acetamido-3-[[(Z)-N'-carbomethoxyamidino]-propionyl-amino]benzenesulfonic acid phenyl ester Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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