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

Systemtic Name: [3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)phenyl] 3-methoxybenzenesulfonate Openeye Name: [4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 3-methoxybenzenesulfonate CAS Name: 3-methoxybenzenesulfonic 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-methoxybenzenesulfonate Traditional Name: 3-methoxybenzenesulfonic acid [3-[[(Z)-N'-carbomethoxyamidino]amino]-4-[(2-methoxyacetyl)amino]phenyl] ester Formula: C19H22N4O8S MolecularWeight: 466.46498

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)OC)NC(=NC(=O)OC)N

Isomeric SMILES

COCC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)OC)N/C(=N\C(=O)OC)/N

InChI

InChI=1S/C19H22N4O8S/c1-28-11-17(24)21-15-8-7-13(10-16(15)22-18(20)23-19(25)30-3)31-32(26,27)14-6-4-5-12(9-14)29-2/h4-10H,11H2,1-3H3,(H,21,24)(H3,20,22,23,25)