5-(2-dimethylaminoethylsulfonyl)-2-methyl-benzoic acid

Systemtic Name: 5-(2-dimethylaminoethylsulfonyl)-2-methyl-benzoic acid Openeye Name: 5-(2-dimethylaminoethylsulfonyl)-2-methyl-benzoic acid CAS Name: 5-(2-dimethylaminoethylsulfonyl)-2-methylbenzoic acid IUPAC Name: 5-(2-dimethylaminoethylsulfonyl)-2-methylbenzoic acid Traditional Name: 5-(2-dimethylaminoethylsulfonyl)-2-methyl-benzoic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S/c1-9-4-5-10(8-11(9)12(14)15)18(16,17)7-6-13(2)3/h4-5,8H,6-7H2,1-3H3,(H,14,15)