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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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