2-[[4-methyl-1-(quinolin-3-ylmethylsulfonyl)pentan-2-yl]amino]ethanenitrile

Systemtic Name: 2-[[4-methyl-1-(quinolin-3-ylmethylsulfonyl)pentan-2-yl]amino]ethanenitrile Openeye Name: 2-[[3-methyl-1-(3-quinolylmethylsulfonylmethyl)butyl]amino]acetonitrile CAS Name: 2-[[4-methyl-1-(3-quinolinylmethylsulfonyl)pentan-2-yl]amino]acetonitrile IUPAC Name: 2-[[4-methyl-1-(quinolin-3-ylmethylsulfonyl)pentan-2-yl]amino]acetonitrile Traditional Name: 2-[[3-methyl-1-(3-quinolylmethylsulfonylmethyl)butyl]amino]acetonitrile Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-14(2)9-17(20-8-7-19)13-24(22,23)12-15-10-16-5-3-4-6-18(16)21-11-15/h3-6,10-11,14,17,20H,8-9,12-13H2,1-2H3