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

Systemtic Name: phenyl 4-(hexanoylamino)-3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 4-(hexanoylamino)-3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]-methoxycarbonylamino]-4-(1-oxohexylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(hexanoylamino)-3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 4-(caproylamino)-3-[carbomethoxy-[(Z)-N'-carbomethoxyamidino]amino]benzenesulfonic acid phenyl ester Formula: C23H28N4O8S MolecularWeight: 520.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=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

CCCCCC(=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/C23H28N4O8S/c1-4-5-7-12-20(28)25-18-14-13-17(36(31,32)35-16-10-8-6-9-11-16)15-19(18)27(23(30)34-3)21(24)26-22(29)33-2/h6,8-11,13-15H,4-5,7,12H2,1-3H3,(H,25,28)(H2,24,26,29)