2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenecarbonitrile Openeye Name: 2-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzonitrile CAS Name: 2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzonitrile IUPAC Name: 2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzonitrile Traditional Name: 2-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzonitrile Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=CS4)OC

InChI

InChI=1S/C22H20N2O4S2/c1-27-18-12-15-9-10-24(30(25,26)21-8-4-3-6-16(21)14-23)22(20-7-5-11-29-20)17(15)13-19(18)28-2/h3-8,11-13,22H,9-10H2,1-2H3/t22-/m0/s1