4-chloranyl-3-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[[2-(hydroxymethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 4-chloro-3-[[2-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 4-chloro-3-(2-methylolpiperidino)sulfonyl-benzoic acid Formula: C13H16ClNO5S MolecularWeight: 333.78784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1CCN(C(C1)CO)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C13H16ClNO5S/c14-11-5-4-9(13(17)18)7-12(11)21(19,20)15-6-2-1-3-10(15)8-16/h4-5,7,10,16H,1-3,6,8H2,(H,17,18)