5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-methyl-benzoic acid CAS Name: 5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzoic acid Traditional Name: 5-(3,5-dimethylpiperidino)sulfonyl-2-methyl-benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-10-6-11(2)9-16(8-10)21(19,20)13-5-4-12(3)14(7-13)15(17)18/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,17,18)