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

Systemtic Name: 2-chloranyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-chloro-3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-chloro-3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-chloro-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-chloro-3-(3,5-dimethylpiperidino)sulfonyl-benzoic acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2Cl)C(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2Cl)C(=O)O)C

InChI

InChI=1S/C14H18ClNO4S/c1-9-6-10(2)8-16(7-9)21(19,20)12-5-3-4-11(13(12)15)14(17)18/h3-5,9-10H,6-8H2,1-2H3,(H,17,18)