2-[[(3R)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 2-[[(3R)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenecarbonitrile Openeye Name: 2-[[(3R)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzonitrile CAS Name: 2-[[(3R)-3-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzonitrile IUPAC Name: 2-[[(3R)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzonitrile Traditional Name: 2-[[(3R)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(C1)C(=O)[C@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H21N3O3S/c22-14-17-8-3-4-10-20(17)28(26,27)24-15-18-9-2-1-7-16(18)13-19(24)21(25)23-11-5-6-12-23/h1-4,7-10,19H,5-6,11-13,15H2/t19-/m1/s1