[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2,3-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2,3-dimethylbenzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23NO5S/c1-15-6-5-7-19(16(15)2)21(24)27-14-20(23)17-8-10-18(11-9-17)28(25,26)22-12-3-4-13-22/h5-11H,3-4,12-14H2,1-2H3