3,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 3,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-benzoic acid Openeye Name: 3,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-benzoic acid CAS Name: 3,4-dimethyl-5-(1-pyrrolidinylsulfonyl)benzoic acid IUPAC Name: 3,4-dimethyl-5-pyrrolidin-1-ylsulfonylbenzoic acid Traditional Name: 3,4-dimethyl-5-pyrrolidinosulfonyl-benzoic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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