[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3

InChI

InChI=1S/C23H28N2O5S/c1-16-7-8-17(2)19(13-16)22(26)15-30-23(27)20-14-18(31(28,29)24(3)4)9-10-21(20)25-11-5-6-12-25/h7-10,13-14H,5-6,11-12,15H2,1-4H3