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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C

Isomeric SMILES

CC1CCC(N(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C

InChI

InChI=1S/C14H18ClNO4S/c1-9-3-4-10(2)16(8-9)21(19,20)11-5-6-13(15)12(7-11)14(17)18/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,18)