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

Systemtic Name: [3-[(N'-ethylcarbamimidoyl)-methoxycarbonyl-amino]-4-(2-methoxyethanoylamino)phenyl] benzenesulfonate Openeye Name: [3-[(N'-ethylcarbamimidoyl)-methoxycarbonyl-amino]-4-[(2-methoxyacetyl)amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[amino(ethylimino)methyl]-methoxycarbonylamino]-4-[(2-methoxy-1-oxoethyl)amino]phenyl] ester IUPAC Name: [3-[(N'-ethylcarbamimidoyl)-methoxycarbonylamino]-4-[(2-methoxyacetyl)amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[carbomethoxy-(N'-ethylamidino)amino]-4-[(2-methoxyacetyl)amino]phenyl] ester Formula: C20H24N4O7S MolecularWeight: 464.49216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O7S/c1-4-22-19(21)24(20(26)30-3)17-12-14(10-11-16(17)23-18(25)13-29-2)31-32(27,28)15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3,(H2,21,22)(H,23,25)