2-chloranyl-6-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenoxy]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenoxy]benzenecarbonitrile Openeye Name: 2-chloro-6-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenoxy]benzonitrile CAS Name: 2-chloro-6-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenoxy]benzonitrile IUPAC Name: 2-chloro-6-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenoxy]benzonitrile Traditional Name: 2-chloro-6-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenoxy]benzonitrile Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N

InChI

InChI=1S/C22H17ClN2O3S/c23-21-6-3-7-22(20(21)14-24)28-18-8-10-19(11-9-18)29(26,27)25-13-12-16-4-1-2-5-17(16)15-25/h1-11H,12-13,15H2