2-[[1-(oxolan-2-yl)-2-(quinolin-3-ylmethylsulfonyl)ethyl]amino]ethanenitrile

Systemtic Name: 2-[[1-(oxolan-2-yl)-2-(quinolin-3-ylmethylsulfonyl)ethyl]amino]ethanenitrile Openeye Name: 2-[[2-(3-quinolylmethylsulfonyl)-1-tetrahydrofuran-2-yl-ethyl]amino]acetonitrile CAS Name: 2-[[1-(2-oxolanyl)-2-(3-quinolinylmethylsulfonyl)ethyl]amino]acetonitrile IUPAC Name: 2-[[1-(oxolan-2-yl)-2-(quinolin-3-ylmethylsulfonyl)ethyl]amino]acetonitrile Traditional Name: 2-[[2-(3-quinolylmethylsulfonyl)-1-(tetrahydrofuryl)ethyl]amino]acetonitrile Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(CS(=O)(=O)CC2=CC3=CC=CC=C3N=C2)NCC#N

Isomeric SMILES

C1CC(OC1)C(CS(=O)(=O)CC2=CC3=CC=CC=C3N=C2)NCC#N

InChI

InChI=1S/C18H21N3O3S/c19-7-8-20-17(18-6-3-9-24-18)13-25(22,23)12-14-10-15-4-1-2-5-16(15)21-11-14/h1-2,4-5,10-11,17-18,20H,3,6,8-9,12-13H2