3-(2-morpholin-4-ylethylsulfonyl)benzoic acid

Systemtic Name: 3-(2-morpholin-4-ylethylsulfonyl)benzoic acid Openeye Name: 3-(2-morpholinoethylsulfonyl)benzoic acid CAS Name: 3-[2-(4-morpholinyl)ethylsulfonyl]benzoic acid IUPAC Name: 3-(2-morpholin-4-ylethylsulfonyl)benzoic acid Traditional Name: 3-(2-morpholinoethylsulfonyl)benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCS(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1COCCN1CCS(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H17NO5S/c15-13(16)11-2-1-3-12(10-11)20(17,18)9-6-14-4-7-19-8-5-14/h1-3,10H,4-9H2,(H,15,16)