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

Systemtic Name: 2-[[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)butan-2-yl]amino]ethanenitrile Openeye Name: 2-[[2-methoxy-1-(3-quinolylmethylsulfonylmethyl)propyl]amino]acetonitrile CAS Name: 2-[[3-methoxy-1-(3-quinolinylmethylsulfonyl)butan-2-yl]amino]acetonitrile IUPAC Name: 2-[[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)butan-2-yl]amino]acetonitrile Traditional Name: 2-[[2-methoxy-1-(3-quinolylmethylsulfonylmethyl)propyl]amino]acetonitrile Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-13(23-2)17(19-8-7-18)12-24(21,22)11-14-9-15-5-3-4-6-16(15)20-10-14/h3-6,9-10,13,17,19H,8,11-12H2,1-2H3