[1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 4-(cyclopropylsulfamoyl)benzoate

Systemtic Name: [1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 4-(cyclopropylsulfamoyl)benzoate Openeye Name: [2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 4-(cyclopropylsulfamoyl)benzoate CAS Name: 4-(cyclopropylsulfamoyl)benzoic acid [1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 4-(cyclopropylsulfamoyl)benzoate Traditional Name: 4-(cyclopropylsulfamoyl)benzoic acid [2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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