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

Systemtic Name: 2-chloranyl-5-(3,5-dimethylmorpholin-4-yl)sulfonyl-benzoic acid Openeye Name: 2-chloro-5-(3,5-dimethylmorpholin-4-yl)sulfonyl-benzoic acid CAS Name: 2-chloro-5-[(3,5-dimethyl-4-morpholinyl)sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-(3,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid Traditional Name: 2-chloro-5-(3,5-dimethylmorpholino)sulfonyl-benzoic acid Formula: C13H16ClNO5S MolecularWeight: 333.78784

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCC(N1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C

Isomeric SMILES

CC1COCC(N1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C

InChI

InChI=1S/C13H16ClNO5S/c1-8-6-20-7-9(2)15(8)21(18,19)10-3-4-12(14)11(5-10)13(16)17/h3-5,8-9H,6-7H2,1-2H3,(H,16,17)