[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(cyclopropylsulfamoyl)benzoate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(cyclopropylsulfamoyl)benzoate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3-(cyclopropylsulfamoyl)benzoate CAS Name: 3-(cyclopropylsulfamoyl)benzoic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate Traditional Name: 3-(cyclopropylsulfamoyl)benzoic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3)C

InChI

InChI=1S/C21H23NO5S/c1-13-7-8-16(11-14(13)2)20(23)15(3)27-21(24)17-5-4-6-19(12-17)28(25,26)22-18-9-10-18/h4-8,11-12,15,18,22H,9-10H2,1-3H3