2-[2-(5-chloranylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(5-chloranylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(5-chloro-2-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(5-chloro-2-thiophenyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-(5-chlorothiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(5-chloro-2-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C15H14ClNO4S2 MolecularWeight: 371.85896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)O)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)O)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C15H14ClNO4S2/c16-13-5-6-15(22-13)23(20,21)17-8-7-10-3-1-2-4-11(10)12(17)9-14(18)19/h1-6,12H,7-9H2,(H,18,19)