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

Systemtic Name: 2-[2-(4-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-(4-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxo-acetic acid CAS Name: 2-[2-(4-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid IUPAC Name: 2-[2-(4-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid Traditional Name: 2-(2-brosyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-keto-acetic acid Formula: C17H14BrNO5S MolecularWeight: 424.26576

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)C(=O)O

InChI

InChI=1S/C17H14BrNO5S/c18-13-5-7-14(8-6-13)25(23,24)19-10-12-4-2-1-3-11(12)9-15(19)16(20)17(21)22/h1-8,15H,9-10H2,(H,21,22)