3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfonylbenzoic acid

Systemtic Name: 3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfonylbenzoic acid Openeye Name: 3-(2-morpholino-2-oxo-ethyl)sulfonylbenzoic acid CAS Name: 3-[2-(4-morpholinyl)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 3-(2-morpholin-4-yl-2-oxoethyl)sulfonylbenzoic acid Traditional Name: 3-(2-keto-2-morpholino-ethyl)sulfonylbenzoic acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1COCCN1C(=O)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H15NO6S/c15-12(14-4-6-20-7-5-14)9-21(18,19)11-3-1-2-10(8-11)13(16)17/h1-3,8H,4-7,9H2,(H,16,17)