2-[2-(4-bromophenyl)sulfonyl-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(4-bromophenyl)sulfonyl-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-(4-bromophenyl)sulfonyl-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-(4-bromophenyl)sulfonyl-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-(4-bromophenyl)sulfonyl-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-(2-brosyl-1H-isoquinolin-1-yl)acetic acid Formula: C17H14BrNO4S MolecularWeight: 408.26636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrNO4S/c18-13-5-7-14(8-6-13)24(22,23)19-10-9-12-3-1-2-4-15(12)16(19)11-17(20)21/h1-10,16H,11H2,(H,20,21)