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

Systemtic Name: (3-methoxyphenyl) 3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)benzenesulfonate Openeye Name: (3-methoxyphenyl) 4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]amino]-4-[(2-methoxy-1-oxoethyl)amino]benzenesulfonic acid (3-methoxyphenyl) ester IUPAC Name: (3-methoxyphenyl) 4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 3-[[(Z)-N'-carbomethoxyamidino]amino]-4-[(2-methoxyacetyl)amino]benzenesulfonic acid (3-methoxyphenyl) ester Formula: C19H22N4O8S MolecularWeight: 466.46498

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)OC)NC(=NC(=O)OC)N

Isomeric SMILES

COCC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)OC)N/C(=N\C(=O)OC)/N

InChI

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