2-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-6-(2-piperidin-1-ylethoxy)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-6-(2-piperidin-1-ylethoxy)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-6-[2-(1-piperidyl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-6-[2-(1-piperidinyl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-6-(2-piperidin-1-ylethoxy)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-6-(2-piperidinoethoxy)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C29H31FN2O6S MolecularWeight: 554.629643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC3=C(C=C2)C(N(CC3)S(=O)(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)F)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC3=C(C=C2)C(N(CC3)S(=O)(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)F)C(=O)O

InChI

InChI=1S/C29H31FN2O6S/c30-22-4-6-23(7-5-22)38-24-8-11-26(12-9-24)39(35,36)32-17-14-21-20-25(10-13-27(21)28(32)29(33)34)37-19-18-31-15-2-1-3-16-31/h4-13,20,28H,1-3,14-19H2,(H,33,34)