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

Systemtic Name: phenyl 4-(hexanoylamino)-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 4-(hexanoylamino)-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]amino]-4-(1-oxohexylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(hexanoylamino)-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 4-(caproylamino)-3-[[(Z)-N'-carbomethoxyamidino]amino]benzenesulfonic acid phenyl ester Formula: C21H26N4O6S MolecularWeight: 462.51934

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O6S/c1-3-4-6-11-19(26)23-17-13-12-16(14-18(17)24-20(22)25-21(27)30-2)32(28,29)31-15-9-7-5-8-10-15/h5,7-10,12-14H,3-4,6,11H2,1-2H3,(H,23,26)(H3,22,24,25,27)