4-(2,6-dimethylpiperidin-1-yl)-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-(2,6-dimethylpiperidin-1-yl)-3-methylsulfonyl-benzoic acid Openeye Name: 4-(2,6-dimethyl-1-piperidyl)-3-methylsulfonyl-benzoic acid CAS Name: 4-(2,6-dimethyl-1-piperidinyl)-3-methylsulfonylbenzoic acid IUPAC Name: 4-(2,6-dimethylpiperidin-1-yl)-3-methylsulfonylbenzoic acid Traditional Name: 4-(2,6-dimethylpiperidino)-3-mesyl-benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)C)C

Isomeric SMILES

CC1CCCC(N1C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)C)C

InChI

InChI=1S/C15H21NO4S/c1-10-5-4-6-11(2)16(10)13-8-7-12(15(17)18)9-14(13)21(3,19)20/h7-11H,4-6H2,1-3H3,(H,17,18)