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

Systemtic Name: 3-[8-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[(3S)-1-methylsulfonyl-3-pyrrolidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[(3S)-1-mesylpyrrolidin-3-yl]amino]-6-isoquinolyl]benzonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(C1)NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)N1CC[C@@H](C1)NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H20N4O2S/c1-28(26,27)25-8-6-19(14-25)24-21-11-18(10-17-5-7-23-13-20(17)21)16-4-2-3-15(9-16)12-22/h2-5,7,9-11,13,19,24H,6,8,14H2,1H3/t19-/m0/s1