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

Systemtic Name: (3R)-2-[4-(4-cyanophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-2-[4-(4-cyanophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-2-[4-(4-cyanophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-2-[4-(4-cyanophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-2-[4-(4-cyanophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C23H18N2O5S MolecularWeight: 434.46442

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C23H18N2O5S/c24-14-16-5-7-19(8-6-16)30-20-9-11-21(12-10-20)31(28,29)25-15-18-4-2-1-3-17(18)13-22(25)23(26)27/h1-12,22H,13,15H2,(H,26,27)/t22-/m1/s1