3,4-dimethyl-5-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 3,4-dimethyl-5-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 3-[(3-hydroxy-1-piperidyl)sulfonyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[(3-hydroxy-1-piperidinyl)sulfonyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-(3-hydroxypiperidin-1-yl)sulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-(3-hydroxypiperidino)sulfonyl-4,5-dimethyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N2CCCC(C2)O)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N2CCCC(C2)O)C

InChI

InChI=1S/C14H19NO5S/c1-9-6-11(14(17)18)7-13(10(9)2)21(19,20)15-5-3-4-12(16)8-15/h6-7,12,16H,3-5,8H2,1-2H3,(H,17,18)