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

Systemtic Name: 3-(2-dimethylaminoethylsulfonyl)-4,5-dimethyl-benzoic acid Openeye Name: 3-(2-dimethylaminoethylsulfonyl)-4,5-dimethyl-benzoic acid CAS Name: 3-(2-dimethylaminoethylsulfonyl)-4,5-dimethylbenzoic acid IUPAC Name: 3-(2-dimethylaminoethylsulfonyl)-4,5-dimethylbenzoic acid Traditional Name: 3-(2-dimethylaminoethylsulfonyl)-4,5-dimethyl-benzoic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CCN(C)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CCN(C)C)C

InChI

InChI=1S/C13H19NO4S/c1-9-7-11(13(15)16)8-12(10(9)2)19(17,18)6-5-14(3)4/h7-8H,5-6H2,1-4H3,(H,15,16)