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

Systemtic Name: 2-[[1-methoxy-3-(quinolin-3-ylmethylsulfonyl)propan-2-yl]amino]ethanenitrile Openeye Name: 2-[[1-(methoxymethyl)-2-(3-quinolylmethylsulfonyl)ethyl]amino]acetonitrile CAS Name: 2-[[1-methoxy-3-(3-quinolinylmethylsulfonyl)propan-2-yl]amino]acetonitrile IUPAC Name: 2-[[1-methoxy-3-(quinolin-3-ylmethylsulfonyl)propan-2-yl]amino]acetonitrile Traditional Name: 2-[[1-(methoxymethyl)-2-(3-quinolylmethylsulfonyl)ethyl]amino]acetonitrile Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-22-10-15(18-7-6-17)12-23(20,21)11-13-8-14-4-2-3-5-16(14)19-9-13/h2-5,8-9,15,18H,7,10-12H2,1H3