[4-[(E)-2-(dimethylamino)-3-oxidanylidene-pent-1-enyl]sulfonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-2-(dimethylamino)-3-oxidanylidene-pent-1-enyl]sulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-(dimethylamino)-3-oxo-pent-1-enyl]sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-(dimethylamino)-3-oxopent-1-enyl]sulfonylphenyl] ester IUPAC Name: [4-[(E)-2-(dimethylamino)-3-oxopent-1-enyl]sulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-(dimethylamino)-3-keto-pent-1-enyl]sulfonylphenyl] ester Formula: C20H23NO6S2 MolecularWeight: 437.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=CS(=O)(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)N(C)C

Isomeric SMILES

CCC(=O)/C(=C\S(=O)(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)/N(C)C

InChI

InChI=1S/C20H23NO6S2/c1-5-20(22)19(21(3)4)14-28(23,24)17-12-8-16(9-13-17)27-29(25,26)18-10-6-15(2)7-11-18/h6-14H,5H2,1-4H3/b19-14+