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

Systemtic Name: [3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(propanoylamino)phenyl] benzenesulfonate Openeye Name: [3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(propanoylamino)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[(Z)-amino(methoxycarbonylimino)methyl]amino]-4-(1-oxopropylamino)phenyl] ester IUPAC Name: [3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(propanoylamino)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[[(Z)-N'-carbomethoxyamidino]amino]-4-propionamido-phenyl] ester Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)NC(=NC(=O)OC)N

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)N/C(=N\C(=O)OC)/N

InChI

InChI=1S/C18H20N4O6S/c1-3-16(23)20-14-10-9-12(11-15(14)21-17(19)22-18(24)27-2)28-29(25,26)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,23)(H3,19,21,22,24)