2-bromanyl-5-(3-methylmorpholin-4-yl)sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-(3-methylmorpholin-4-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-(3-methylmorpholin-4-yl)sulfonyl-benzoic acid CAS Name: 2-bromo-5-[(3-methyl-4-morpholinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(3-methylmorpholin-4-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(3-methylmorpholino)sulfonyl-benzoic acid Formula: C12H14BrNO5S MolecularWeight: 364.21226

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C12H14BrNO5S/c1-8-7-19-5-4-14(8)20(17,18)9-2-3-11(13)10(6-9)12(15)16/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)