2-(quinolin-6-ylmethylsulfonyl)propanoic acid

Systemtic Name: 2-(quinolin-6-ylmethylsulfonyl)propanoic acid Openeye Name: 2-(6-quinolylmethylsulfonyl)propanoic acid CAS Name: 2-(6-quinolinylmethylsulfonyl)propanoic acid IUPAC Name: 2-(quinolin-6-ylmethylsulfonyl)propanoic acid Traditional Name: 2-(6-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=CC2=C(C=C1)N=CC=C2

Isomeric SMILES

CC(C(=O)O)S(=O)(=O)CC1=CC2=C(C=C1)N=CC=C2

InChI

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