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

Systemtic Name: [3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)phenyl] 3-ethoxybenzenesulfonate Openeye Name: [4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 3-ethoxybenzenesulfonate CAS Name: 3-ethoxybenzenesulfonic acid [3-[[(Z)-amino(methoxycarbonylimino)methyl]amino]-4-[(2-methoxy-1-oxoethyl)amino]phenyl] ester IUPAC Name: [4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 3-ethoxybenzenesulfonate Traditional Name: 3-ethoxybenzenesulfonic acid [3-[[(Z)-N'-carbomethoxyamidino]amino]-4-[(2-methoxyacetyl)amino]phenyl] ester Formula: C20H24N4O8S MolecularWeight: 480.49156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)S(=O)(=O)OC2=CC(=C(C=C2)NC(=O)COC)NC(=NC(=O)OC)N

Isomeric SMILES

CCOC1=CC(=CC=C1)S(=O)(=O)OC2=CC(=C(C=C2)NC(=O)COC)N/C(=N\C(=O)OC)/N

InChI

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