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

Systemtic Name: phenyl 3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(pentanoylamino)benzenesulfonate Openeye Name: phenyl 3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(pentanoylamino)benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]amino]-4-(1-oxopentylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(pentanoylamino)benzenesulfonate Traditional Name: 3-[[(Z)-N'-carbomethoxyamidino]amino]-4-(valerylamino)benzenesulfonic acid phenyl ester Formula: C20H24N4O6S MolecularWeight: 448.49276

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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)NC(=NC(=O)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O6S/c1-3-4-10-18(25)22-16-12-11-15(13-17(16)23-19(21)24-20(26)29-2)31(27,28)30-14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,22,25)(H3,21,23,24,26)