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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)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/C21H26N4O6S/c1-14(2)9-12-19(26)23-17-11-10-15(13-18(17)24-20(22)25-21(27)30-3)31-32(28,29)16-7-5-4-6-8-16/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,23,26)(H3,22,24,25,27)