4-ethyl-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 4-ethyl-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid Openeye Name: 4-ethyl-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid CAS Name: 4-ethyl-3-[2-(1-pyrrolidinyl)ethylsulfonyl]benzoic acid IUPAC Name: 4-ethyl-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid Traditional Name: 4-ethyl-3-(2-pyrrolidinoethylsulfonyl)benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCN2CCCC2

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCN2CCCC2

InChI

InChI=1S/C15H21NO4S/c1-2-12-5-6-13(15(17)18)11-14(12)21(19,20)10-9-16-7-3-4-8-16/h5-6,11H,2-4,7-10H2,1H3,(H,17,18)