(3R)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-2-[[5-(2-pyridyl)-2-thienyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-2-[[5-(2-pyridinyl)-2-thiophenyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-2-[[5-(2-pyridyl)-2-thienyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C19H16N2O4S2 MolecularWeight: 400.47134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C19H16N2O4S2/c22-19(23)16-11-13-5-1-2-6-14(13)12-21(16)27(24,25)18-9-8-17(26-18)15-7-3-4-10-20-15/h1-10,16H,11-12H2,(H,22,23)/t16-/m1/s1