4-bromanyl-3-(3-ethylmorpholin-4-yl)sulfonyl-benzoic acid

Systemtic Name: 4-bromanyl-3-(3-ethylmorpholin-4-yl)sulfonyl-benzoic acid Openeye Name: 4-bromo-3-(3-ethylmorpholin-4-yl)sulfonyl-benzoic acid CAS Name: 4-bromo-3-[(3-ethyl-4-morpholinyl)sulfonyl]benzoic acid IUPAC Name: 4-bromo-3-(3-ethylmorpholin-4-yl)sulfonylbenzoic acid Traditional Name: 4-bromo-3-(3-ethylmorpholino)sulfonyl-benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

Isomeric SMILES

CCC1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C13H16BrNO5S/c1-2-10-8-20-6-5-15(10)21(18,19)12-7-9(13(16)17)3-4-11(12)14/h3-4,7,10H,2,5-6,8H2,1H3,(H,16,17)