3-(2-diethylaminoethylsulfonyl)-4,5-dimethyl-benzoic acid

Systemtic Name: 3-(2-diethylaminoethylsulfonyl)-4,5-dimethyl-benzoic acid Openeye Name: 3-(2-diethylaminoethylsulfonyl)-4,5-dimethyl-benzoic acid CAS Name: 3-(2-diethylaminoethylsulfonyl)-4,5-dimethylbenzoic acid IUPAC Name: 3-(2-diethylaminoethylsulfonyl)-4,5-dimethylbenzoic acid Traditional Name: 3-(2-diethylaminoethylsulfonyl)-4,5-dimethyl-benzoic acid Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCS(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)O

Isomeric SMILES

CCN(CC)CCS(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)O

InChI

InChI=1S/C15H23NO4S/c1-5-16(6-2)7-8-21(19,20)14-10-13(15(17)18)9-11(3)12(14)4/h9-10H,5-8H2,1-4H3,(H,17,18)