2-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C22H18FNO5S MolecularWeight: 427.445423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FNO5S/c23-16-5-7-17(8-6-16)29-18-9-11-19(12-10-18)30(27,28)24-14-13-15-3-1-2-4-20(15)21(24)22(25)26/h1-12,21H,13-14H2,(H,25,26)