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

Systemtic Name: phenyl 4-(cyclopentylcarbonylamino)-3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 4-(cyclopentanecarbonylamino)-3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 3-[[(E)-amino(methoxycarbonylimino)methyl]-methoxycarbonylamino]-4-[[cyclopentyl(oxo)methyl]amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(cyclopentanecarbonylamino)-3-[methoxycarbonyl-[(E)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 3-[carbomethoxy-[(E)-N'-carbomethoxyamidino]amino]-4-(cyclopentanecarbonylamino)benzenesulfonic acid phenyl ester Formula: C23H26N4O8S MolecularWeight: 518.53954

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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)C3CCCC3)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)C3CCCC3)C(=O)OC

InChI

InChI=1S/C23H26N4O8S/c1-33-22(29)26-21(24)27(23(30)34-2)19-14-17(36(31,32)35-16-10-4-3-5-11-16)12-13-18(19)25-20(28)15-8-6-7-9-15/h3-5,10-15H,6-9H2,1-2H3,(H,25,28)(H2,24,26,29)