(3-ethoxyphenyl) 3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-(2-methoxyethanoylamino)amino]benzenesulfonate

Systemtic Name: (3-ethoxyphenyl) 3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-(2-methoxyethanoylamino)amino]benzenesulfonate Openeye Name: (3-ethoxyphenyl) 3-[[(2-methoxyacetyl)amino]-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]-[(2-methoxy-1-oxoethyl)amino]amino]benzenesulfonic acid (3-ethoxyphenyl) ester IUPAC Name: (3-ethoxyphenyl) 3-[[(2-methoxyacetyl)amino]-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 3-[[(Z)-N'-carbomethoxyamidino]-[(2-methoxyacetyl)amino]amino]benzenesulfonic acid m-phenetyl ester Formula: C20H24N4O8S MolecularWeight: 480.49156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)N(C(=NC(=O)OC)N)NC(=O)COC

Isomeric SMILES

CCOC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)N(/C(=N\C(=O)OC)/N)NC(=O)COC

InChI

InChI=1S/C20H24N4O8S/c1-4-31-15-8-6-9-16(12-15)32-33(27,28)17-10-5-7-14(11-17)24(23-18(25)13-29-2)19(21)22-20(26)30-3/h5-12H,4,13H2,1-3H3,(H,23,25)(H2,21,22,26)