3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[(1-methylsulfonyl-3-pyrrolidinyl)methoxy]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[(1-methylsulfonylpyrrolidin-3-yl)methoxy]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-mesylpyrrolidin-3-yl)methoxy]-6-isoquinolyl]benzonitrile Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(C1)COC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)N1CCC(C1)COC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H21N3O3S/c1-29(26,27)25-8-6-17(14-25)15-28-22-11-20(10-19-5-7-24-13-21(19)22)18-4-2-3-16(9-18)12-23/h2-5,7,9-11,13,17H,6,8,14-15H2,1H3