2-(quinolin-8-ylmethylsulfonyl)propanoic acid

Systemtic Name: 2-(quinolin-8-ylmethylsulfonyl)propanoic acid Openeye Name: 2-(8-quinolylmethylsulfonyl)propanoic acid CAS Name: 2-(8-quinolinylmethylsulfonyl)propanoic acid IUPAC Name: 2-(quinolin-8-ylmethylsulfonyl)propanoic acid Traditional Name: 2-(8-quinolylmethylsulfonyl)propionic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S(=O)(=O)CC1=CC=CC2=C1N=CC=C2

Isomeric SMILES

CC(C(=O)O)S(=O)(=O)CC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C13H13NO4S/c1-9(13(15)16)19(17,18)8-11-5-2-4-10-6-3-7-14-12(10)11/h2-7,9H,8H2,1H3,(H,15,16)