2-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-ylsulfonylmethyl)-3-methyl-butanoic acid

Systemtic Name: 2-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-ylsulfonylmethyl)-3-methyl-butanoic acid Openeye Name: 2-(3,4-dihydro-1H-benzofuro[2,3-c]pyridin-2-ylsulfonylmethyl)-3-methyl-butanoic acid CAS Name: 2-(3,4-dihydro-1H-benzofuro[2,3-c]pyridin-2-ylsulfonylmethyl)-3-methylbutanoic acid IUPAC Name: 2-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-ylsulfonylmethyl)-3-methylbutanoic acid Traditional Name: 2-(3,4-dihydro-1H-benzofuro[2,3-c]pyridin-2-ylsulfonylmethyl)-3-methyl-butyric acid Formula: C17H21NO5S MolecularWeight: 351.41734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)N1CCC2=C(C1)OC3=CC=CC=C23)C(=O)O

Isomeric SMILES

CC(C)C(CS(=O)(=O)N1CCC2=C(C1)OC3=CC=CC=C23)C(=O)O

InChI

InChI=1S/C17H21NO5S/c1-11(2)14(17(19)20)10-24(21,22)18-8-7-13-12-5-3-4-6-15(12)23-16(13)9-18/h3-6,11,14H,7-10H2,1-2H3,(H,19,20)