[4-[(E)-1-(dimethylamino)-4-methyl-3-oxidanylidene-pent-1-en-2-yl]sulfonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-1-(dimethylamino)-4-methyl-3-oxidanylidene-pent-1-en-2-yl]sulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(1E)-1-(dimethylaminomethylene)-3-methyl-2-oxo-butyl]sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-1-(dimethylamino)-4-methyl-3-oxopent-1-en-2-yl]sulfonylphenyl] ester IUPAC Name: [4-[(E)-1-(dimethylamino)-4-methyl-3-oxopent-1-en-2-yl]sulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-(dimethylamino)-1-isobutyryl-vinyl]sulfonylphenyl] ester Formula: C21H25NO6S2 MolecularWeight: 451.5563

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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(=C/N(C)C)/C(=O)C(C)C

InChI

InChI=1S/C21H25NO6S2/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/h6-15H,1-5H3/b20-14+