[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 5-(cyclopropylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 5-(cyclopropylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 5-(cyclopropylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(cyclopropylsulfamoyl)-2-methylbenzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(cyclopropylsulfamoyl)-2-methyl-benzoic acid [2-(3,4-dimethylphenyl)-2-keto-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)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3CC3)C)C

Isomeric SMILES

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

InChI

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