2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoic acid Openeye Name: 2-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-[(3S,5S)-3,5-dimethylpiperidino]sulfonylbenzoic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2C(=O)O)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C14H19NO4S/c1-10-7-11(2)9-15(8-10)20(18,19)13-6-4-3-5-12(13)14(16)17/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)/t10-,11-/m0/s1