4-chloranyl-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoic acid CAS Name: 4-chloro-3-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoic acid Traditional Name: 4-chloro-3-[(3S,5S)-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=C(C=CC(=C2)C(=O)O)Cl)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)C

InChI

InChI=1S/C14H18ClNO4S/c1-9-5-10(2)8-16(7-9)21(19,20)13-6-11(14(17)18)3-4-12(13)15/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)/t9-,10-/m0/s1