phenyl 4-(aminocarbonylamino)-3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate

Systemtic Name: phenyl 4-(aminocarbonylamino)-3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]-4-ureido-benzenesulfonate CAS Name: 3-[[(E)-amino(methoxycarbonylimino)methyl]-methoxycarbonylamino]-4-(carbamoylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(carbamoylamino)-3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 3-[carbomethoxy-[(E)-N'-carbomethoxyamidino]amino]-4-ureido-benzenesulfonic acid phenyl ester Formula: C18H19N5O8S MolecularWeight: 465.43716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)/N=C(\N)/N(C1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=O)N)C(=O)OC

InChI

InChI=1S/C18H19N5O8S/c1-29-17(25)22-15(19)23(18(26)30-2)14-10-12(8-9-13(14)21-16(20)24)32(27,28)31-11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,19,22,25)(H3,20,21,24)