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

Systemtic Name: 3-bromanyl-4-(2,5-dimethylmorpholin-4-yl)sulfonyl-benzoic acid Openeye Name: 3-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonyl-benzoic acid CAS Name: 3-bromo-4-[(2,5-dimethyl-4-morpholinyl)sulfonyl]benzoic acid IUPAC Name: 3-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid Traditional Name: 3-bromo-4-(2,5-dimethylmorpholino)sulfonyl-benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CO1)C)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

CC1CN(C(CO1)C)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br

InChI

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