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

Systemtic Name: [4-(hexanoylamino)-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate Openeye Name: [4-(hexanoylamino)-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[(Z)-amino(methoxycarbonylimino)methyl]amino]-4-(1-oxohexylamino)phenyl] ester IUPAC Name: [4-(hexanoylamino)-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(caproylamino)-3-[[(Z)-N'-carbomethoxyamidino]amino]phenyl] ester Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O6S/c1-3-4-6-11-19(26)23-17-13-12-15(14-18(17)24-20(22)25-21(27)30-2)31-32(28,29)16-9-7-5-8-10-16/h5,7-10,12-14H,3-4,6,11H2,1-2H3,(H,23,26)(H3,22,24,25,27)