3-(pyridin-4-ylmethylsulfonyl)propanoic acid hydrochloride

Systemtic Name: 3-(pyridin-4-ylmethylsulfonyl)propanoic acid hydrochloride Openeye Name: 3-(4-pyridylmethylsulfonyl)propanoic acid hydrochloride CAS Name: 3-(pyridin-4-ylmethylsulfonyl)propanoic acid hydrochloride IUPAC Name: 3-(pyridin-4-ylmethylsulfonyl)propanoic acid hydrochloride Traditional Name: 3-(4-pyridylmethylsulfonyl)propionic acid hydrochloride Formula: C9H12ClNO4S MolecularWeight: 265.71388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CS(=O)(=O)CCC(=O)O.Cl

Isomeric SMILES

C1=CN=CC=C1CS(=O)(=O)CCC(=O)O.Cl

InChI

InChI=1S/C9H11NO4S.ClH/c11-9(12)3-6-15(13,14)7-8-1-4-10-5-2-8;/h1-2,4-5H,3,6-7H2,(H,11,12);1H