2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoic acid CAS Name: 2-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid IUPAC Name: 2-methyl-5-pyrrolidin-1-ylsulfonylbenzoic acid Traditional Name: 2-methyl-5-pyrrolidinosulfonyl-benzoic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-9-4-5-10(8-11(9)12(14)15)18(16,17)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)