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

Systemtic Name: 2-chloranyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-benzoic acid Openeye Name: 2-chloro-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-3-methyl-benzoic acid CAS Name: 2-chloro-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-3-methylbenzoic acid IUPAC Name: 2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylbenzoic acid Traditional Name: 2-chloro-5-(3,5-dimethylpiperidino)sulfonyl-3-methyl-benzoic acid Formula: C15H20ClNO4S MolecularWeight: 345.8416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClNO4S/c1-9-4-10(2)8-17(7-9)22(20,21)12-5-11(3)14(16)13(6-12)15(18)19/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,19)