3-(quinolin-8-ylmethylsulfonyl)propanoic acid

Systemtic Name: 3-(quinolin-8-ylmethylsulfonyl)propanoic acid Openeye Name: 3-(8-quinolylmethylsulfonyl)propanoic acid CAS Name: 3-(8-quinolinylmethylsulfonyl)propanoic acid IUPAC Name: 3-(quinolin-8-ylmethylsulfonyl)propanoic acid Traditional Name: 3-(8-quinolylmethylsulfonyl)propionic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CS(=O)(=O)CCC(=O)O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)CS(=O)(=O)CCC(=O)O)N=CC=C2

InChI

InChI=1S/C13H13NO4S/c15-12(16)6-8-19(17,18)9-11-4-1-3-10-5-2-7-14-13(10)11/h1-5,7H,6,8-9H2,(H,15,16)