2-methyl-5-methylsulfonyl-4-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 2-methyl-5-methylsulfonyl-4-pyrrolidin-1-yl-benzoic acid Openeye Name: 2-methyl-5-methylsulfonyl-4-pyrrolidin-1-yl-benzoic acid CAS Name: 2-methyl-5-methylsulfonyl-4-(1-pyrrolidinyl)benzoic acid IUPAC Name: 2-methyl-5-methylsulfonyl-4-pyrrolidin-1-ylbenzoic acid Traditional Name: 5-mesyl-2-methyl-4-pyrrolidino-benzoic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)N2CCCC2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)N2CCCC2

InChI

InChI=1S/C13H17NO4S/c1-9-7-11(14-5-3-4-6-14)12(19(2,17)18)8-10(9)13(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)