[3-[methoxycarbonyl-(N'-methylcarbamimidoyl)amino]-4-(2-methoxyethanoylamino)phenyl] benzenesulfonate

Systemtic Name: [3-[methoxycarbonyl-(N'-methylcarbamimidoyl)amino]-4-(2-methoxyethanoylamino)phenyl] benzenesulfonate Openeye Name: [4-[(2-methoxyacetyl)amino]-3-[methoxycarbonyl-(N'-methylcarbamimidoyl)amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[amino(methylimino)methyl]-methoxycarbonylamino]-4-[(2-methoxy-1-oxoethyl)amino]phenyl] ester IUPAC Name: [4-[(2-methoxyacetyl)amino]-3-[methoxycarbonyl-(N'-methylcarbamimidoyl)amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[carbomethoxy-(N'-methylamidino)amino]-4-[(2-methoxyacetyl)amino]phenyl] ester Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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