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

Systemtic Name: phenyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(pentanoylamino)benzenesulfonate Openeye Name: phenyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(pentanoylamino)benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]-methoxycarbonylamino]-4-(1-oxopentylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(pentanoylamino)benzenesulfonate Traditional Name: 3-[carbomethoxy-[(Z)-N'-carbomethoxyamidino]amino]-4-(valerylamino)benzenesulfonic acid phenyl ester Formula: C22H26N4O8S MolecularWeight: 506.52884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=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

CCCCC(=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/C22H26N4O8S/c1-4-5-11-19(27)24-17-13-12-16(35(30,31)34-15-9-7-6-8-10-15)14-18(17)26(22(29)33-3)20(23)25-21(28)32-2/h6-10,12-14H,4-5,11H2,1-3H3,(H,24,27)(H2,23,25,28)