4-methyl-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonyl-benzoic acid Openeye Name: 4-methyl-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfonyl-benzoic acid CAS Name: 4-methyl-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfonylbenzoic acid IUPAC Name: 4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbenzoic acid Traditional Name: 3-(2-keto-2-pyrrolidino-ethyl)sulfonyl-4-methyl-benzoic acid Formula: C14H17NO5S MolecularWeight: 311.35348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c1-10-4-5-11(14(17)18)8-12(10)21(19,20)9-13(16)15-6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)