[3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methylpropanoylamino)phenyl] benzenesulfonate

Systemtic Name: [3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methylpropanoylamino)phenyl] benzenesulfonate Openeye Name: [3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methylpropanoylamino)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[(Z)-amino(methoxycarbonylimino)methyl]amino]-4-[(2-methyl-1-oxopropyl)amino]phenyl] ester IUPAC Name: [3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methylpropanoylamino)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[[(Z)-N'-carbomethoxyamidino]amino]-4-(isobutyrylamino)phenyl] ester Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O6S/c1-12(2)17(24)21-15-10-9-13(11-16(15)22-18(20)23-19(25)28-3)29-30(26,27)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,21,24)(H3,20,22,23,25)