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

Systemtic Name: (3-butoxyphenyl) 3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-(2-methoxyethanoylamino)amino]benzenesulfonate Openeye Name: (3-butoxyphenyl) 3-[[(2-methoxyacetyl)amino]-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]-[(2-methoxy-1-oxoethyl)amino]amino]benzenesulfonic acid (3-butoxyphenyl) ester IUPAC Name: (3-butoxyphenyl) 3-[[(2-methoxyacetyl)amino]-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 3-[[(Z)-N'-carbomethoxyamidino]-[(2-methoxyacetyl)amino]amino]benzenesulfonic acid (3-butoxyphenyl) ester Formula: C22H28N4O8S MolecularWeight: 508.54472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)N(C(=NC(=O)OC)N)NC(=O)COC

Isomeric SMILES

CCCCOC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)N(/C(=N\C(=O)OC)/N)NC(=O)COC

InChI

InChI=1S/C22H28N4O8S/c1-4-5-12-33-17-9-7-10-18(14-17)34-35(29,30)19-11-6-8-16(13-19)26(25-20(27)15-31-2)21(23)24-22(28)32-3/h6-11,13-14H,4-5,12,15H2,1-3H3,(H,25,27)(H2,23,24,28)