phenyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(propanoylamino)benzenesulfonate

Systemtic Name: phenyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(propanoylamino)benzenesulfonate Openeye Name: phenyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(propanoylamino)benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]-methoxycarbonylamino]-4-(1-oxopropylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(propanoylamino)benzenesulfonate Traditional Name: 3-[carbomethoxy-[(Z)-N'-carbomethoxyamidino]amino]-4-propionamido-benzenesulfonic acid phenyl ester Formula: C20H22N4O8S MolecularWeight: 478.47568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O8S/c1-4-17(25)22-15-11-10-14(33(28,29)32-13-8-6-5-7-9-13)12-16(15)24(20(27)31-3)18(21)23-19(26)30-2/h5-12H,4H2,1-3H3,(H,22,25)(H2,21,23,26)