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

Systemtic Name: (4-cyanophenyl) 3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)benzenesulfonate Openeye Name: (4-cyanophenyl) 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 (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 3-[[(Z)-N'-carbomethoxyamidino]amino]-4-[(2-methoxyacetyl)amino]benzenesulfonic acid (4-cyanophenyl) ester Formula: C19H19N5O7S MolecularWeight: 461.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O7S/c1-29-11-17(25)22-15-8-7-14(9-16(15)23-18(21)24-19(26)30-2)32(27,28)31-13-5-3-12(10-20)4-6-13/h3-9H,11H2,1-2H3,(H,22,25)(H3,21,23,24,26)