[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 4-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-(2-oxolanylmethylsulfamoyl)benzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-(tetrahydrofurfurylsulfamoyl)benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3)C

InChI

InChI=1S/C22H25NO6S/c1-15-5-6-18(12-16(15)2)21(24)14-29-22(25)17-7-9-20(10-8-17)30(26,27)23-13-19-4-3-11-28-19/h5-10,12,19,23H,3-4,11,13-14H2,1-2H3