3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-benzoic acid

Systemtic Name: 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-4-methoxy-benzoic acid CAS Name: 3-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzoic acid Traditional Name: 3-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-4-methoxy-benzoic acid Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC)C

InChI

InChI=1S/C15H21NO5S/c1-10-6-11(2)9-16(8-10)22(19,20)14-7-12(15(17)18)4-5-13(14)21-3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,17,18)/t10-,11-/m1/s1