[4-[1-(dimethylamino)-4-methyl-3-oxidanylidene-pentan-2-yl]sulfonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[1-(dimethylamino)-4-methyl-3-oxidanylidene-pentan-2-yl]sulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-[1-(dimethylaminomethyl)-3-methyl-2-oxo-butyl]sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[1-(dimethylamino)-4-methyl-3-oxopentan-2-yl]sulfonylphenyl] ester IUPAC Name: [4-[1-(dimethylamino)-4-methyl-3-oxopentan-2-yl]sulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[1-(dimethylaminomethyl)-2-keto-3-methyl-butyl]sulfonylphenyl] ester Formula: C21H27NO6S2 MolecularWeight: 453.57218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C(CN(C)C)C(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C(CN(C)C)C(=O)C(C)C

InChI

InChI=1S/C21H27NO6S2/c1-15(2)21(23)20(14-22(4)5)29(24,25)18-12-8-17(9-13-18)28-30(26,27)19-10-6-16(3)7-11-19/h6-13,15,20H,14H2,1-5H3