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

Systemtic Name: [3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-methyl-amino]-4-(2-methoxyethanoylamino)phenyl] benzenesulfonate Openeye Name: [4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-methyl-amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[(Z)-amino(methoxycarbonylimino)methyl]-methylamino]-4-[(2-methoxy-1-oxoethyl)amino]phenyl] ester IUPAC Name: [4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-methylamino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[[(Z)-N'-carbomethoxyamidino]-methyl-amino]-4-[(2-methoxyacetyl)amino]phenyl] ester Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)NC(=O)COC)/C(=N\C(=O)OC)/N

InChI

InChI=1S/C19H22N4O7S/c1-23(18(20)22-19(25)29-3)16-11-13(9-10-15(16)21-17(24)12-28-2)30-31(26,27)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,21,24)(H2,20,22,25)