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

Systemtic Name: 4-chloranyl-3-(2,6-dimethylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[(2,6-dimethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 4-chloro-3-[(2,6-dimethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-(2,6-dimethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 4-chloro-3-(2,6-dimethylpiperidino)sulfonyl-benzoic acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)C

InChI

InChI=1S/C14H18ClNO4S/c1-9-4-3-5-10(2)16(9)21(19,20)13-8-11(14(17)18)6-7-12(13)15/h6-10H,3-5H2,1-2H3,(H,17,18)