2-chloranyl-5-(2-iodanyl-3,5-dimethyl-piperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-(2-iodanyl-3,5-dimethyl-piperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-chloro-5-[(2-iodo-3,5-dimethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-chloro-5-[(2-iodo-3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-(2-iodo-3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-chloro-5-(2-iodo-3,5-dimethyl-piperidino)sulfonyl-benzoic acid Formula: C14H17ClINO4S MolecularWeight: 457.71155

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(N(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)I)C

Isomeric SMILES

CC1CC(C(N(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)I)C

InChI

InChI=1S/C14H17ClINO4S/c1-8-5-9(2)13(16)17(7-8)22(20,21)10-3-4-12(15)11(6-10)14(18)19/h3-4,6,8-9,13H,5,7H2,1-2H3,(H,18,19)