2-[[1-propan-2-yloxy-3-(quinolin-3-ylmethylsulfonyl)propan-2-yl]amino]ethanenitrile

Systemtic Name: 2-[[1-propan-2-yloxy-3-(quinolin-3-ylmethylsulfonyl)propan-2-yl]amino]ethanenitrile Openeye Name: 2-[[1-(isopropoxymethyl)-2-(3-quinolylmethylsulfonyl)ethyl]amino]acetonitrile CAS Name: 2-[[1-propan-2-yloxy-3-(3-quinolinylmethylsulfonyl)propan-2-yl]amino]acetonitrile IUPAC Name: 2-[[1-propan-2-yloxy-3-(quinolin-3-ylmethylsulfonyl)propan-2-yl]amino]acetonitrile Traditional Name: 2-[[1-(isopropoxymethyl)-2-(3-quinolylmethylsulfonyl)ethyl]amino]acetonitrile Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CS(=O)(=O)CC1=CC2=CC=CC=C2N=C1)NCC#N

Isomeric SMILES

CC(C)OCC(CS(=O)(=O)CC1=CC2=CC=CC=C2N=C1)NCC#N

InChI

InChI=1S/C18H23N3O3S/c1-14(2)24-11-17(20-8-7-19)13-25(22,23)12-15-9-16-5-3-4-6-18(16)21-10-15/h3-6,9-10,14,17,20H,8,11-13H2,1-2H3