2-[1-(quinolin-3-ylmethylsulfonyl)butan-2-ylamino]ethanenitrile

Systemtic Name: 2-[1-(quinolin-3-ylmethylsulfonyl)butan-2-ylamino]ethanenitrile Openeye Name: 2-[1-(3-quinolylmethylsulfonylmethyl)propylamino]acetonitrile CAS Name: 2-[1-(3-quinolinylmethylsulfonyl)butan-2-ylamino]acetonitrile IUPAC Name: 2-[1-(quinolin-3-ylmethylsulfonyl)butan-2-ylamino]acetonitrile Traditional Name: 2-[1-(3-quinolylmethylsulfonylmethyl)propylamino]acetonitrile Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S/c1-2-15(18-8-7-17)12-22(20,21)11-13-9-14-5-3-4-6-16(14)19-10-13/h3-6,9-10,15,18H,2,8,11-12H2,1H3