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

Systemtic Name: [3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)phenyl] benzenesulfonate Openeye Name: [4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic 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] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[[(Z)-N'-carbomethoxyamidino]amino]-4-[(2-methoxyacetyl)amino]phenyl] ester Formula: C18H20N4O7S MolecularWeight: 436.439

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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)NC(=NC(=O)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O7S/c1-27-11-16(23)20-14-9-8-12(10-15(14)21-17(19)22-18(24)28-2)29-30(25,26)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,23)(H3,19,21,22,24)