2-(quinolin-8-ylmethylsulfonyl)ethanoic acid

Systemtic Name: 2-(quinolin-8-ylmethylsulfonyl)ethanoic acid Openeye Name: 2-(8-quinolylmethylsulfonyl)acetic acid CAS Name: 2-(8-quinolinylmethylsulfonyl)acetic acid IUPAC Name: 2-(quinolin-8-ylmethylsulfonyl)acetic acid Traditional Name: 2-(8-quinolylmethylsulfonyl)acetic acid Formula: C12H11NO4S MolecularWeight: 265.28504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO4S/c14-11(15)8-18(16,17)7-10-4-1-3-9-5-2-6-13-12(9)10/h1-6H,7-8H2,(H,14,15)