3-[4-[(2R)-2-(4-butoxyphenyl)sulfonyl-2-methyl-3-(oxidanylamino)-3-oxidanylidene-propyl]phenoxy]propyl-diethyl-azanium

Systemtic Name: 3-[4-[(2R)-2-(4-butoxyphenyl)sulfonyl-2-methyl-3-(oxidanylamino)-3-oxidanylidene-propyl]phenoxy]propyl-diethyl-azanium Openeye Name: 3-[4-[(2R)-2-(4-butoxyphenyl)sulfonyl-3-(hydroxyamino)-2-methyl-3-oxo-propyl]phenoxy]propyl-diethyl-ammonium CAS Name: 3-[4-[(2R)-2-(4-butoxyphenyl)sulfonyl-3-(hydroxyamino)-2-methyl-3-oxopropyl]phenoxy]propyl-diethylammonium IUPAC Name: 3-[4-[(2R)-2-(4-butoxyphenyl)sulfonyl-3-(hydroxyamino)-2-methyl-3-oxopropyl]phenoxy]propyl-diethylazanium Traditional Name: 3-[4-[(2R)-2-(4-butoxyphenyl)sulfonyl-3-(hydroxyamino)-3-keto-2-methyl-propyl]phenoxy]propyl-diethyl-ammonium Formula: C27H41N2O6S+ MolecularWeight: 521.68924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C(C)(CC2=CC=C(C=C2)OCCC[NH+](CC)CC)C(=O)NO

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)[C@](C)(CC2=CC=C(C=C2)OCCC[NH+](CC)CC)C(=O)NO

InChI

InChI=1S/C27H40N2O6S/c1-5-8-19-34-24-14-16-25(17-15-24)36(32,33)27(4,26(30)28-31)21-22-10-12-23(13-11-22)35-20-9-18-29(6-2)7-3/h10-17,31H,5-9,18-21H2,1-4H3,(H,28,30)/p+1/t27-/m1/s1