2-[2-(5-bromanylthiophen-2-yl)sulfonyl-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(5-bromanylthiophen-2-yl)sulfonyl-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(5-bromo-2-thienyl)sulfonyl]-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(5-bromo-2-thiophenyl)sulfonyl]-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-(5-bromothiophen-2-yl)sulfonyl-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(5-bromo-2-thienyl)sulfonyl]-1H-isoquinolin-1-yl]acetic acid Formula: C15H12BrNO4S2 MolecularWeight: 414.29408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)S(=O)(=O)C3=CC=C(S3)Br)CC(=O)O

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)S(=O)(=O)C3=CC=C(S3)Br)CC(=O)O

InChI

InChI=1S/C15H12BrNO4S2/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/h1-8,12H,9H2,(H,18,19)