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

Systemtic Name: 3-[4-[(2R)-2-(4-ethoxyphenyl)sulfonyl-2-methyl-3-(oxidanylamino)-3-oxidanylidene-propyl]phenoxy]propyl-diethyl-azanium Openeye Name: 3-[4-[(2R)-2-(4-ethoxyphenyl)sulfonyl-3-(hydroxyamino)-2-methyl-3-oxo-propyl]phenoxy]propyl-diethyl-ammonium CAS Name: 3-[4-[(2R)-2-(4-ethoxyphenyl)sulfonyl-3-(hydroxyamino)-2-methyl-3-oxopropyl]phenoxy]propyl-diethylammonium IUPAC Name: 3-[4-[(2R)-2-(4-ethoxyphenyl)sulfonyl-3-(hydroxyamino)-2-methyl-3-oxopropyl]phenoxy]propyl-diethylazanium Traditional Name: diethyl-[3-[4-[(2R)-3-(hydroxyamino)-3-keto-2-methyl-2-p-phenetylsulfonyl-propyl]phenoxy]propyl]ammonium Formula: C25H37N2O6S+ MolecularWeight: 493.63608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCOC1=CC=C(C=C1)CC(C)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CC[NH+](CC)CCCOC1=CC=C(C=C1)C[C@](C)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C25H36N2O6S/c1-5-27(6-2)17-8-18-33-22-11-9-20(10-12-22)19-25(4,24(28)26-29)34(30,31)23-15-13-21(14-16-23)32-7-3/h9-16,29H,5-8,17-19H2,1-4H3,(H,26,28)/p+1/t25-/m1/s1