4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoic acid Openeye Name: 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoic acid CAS Name: 4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid Traditional Name: 4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoic acid Formula: C13H16ClNO5S MolecularWeight: 333.78784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

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