2-butyl-3-methyl-2-(phenylsulfonyl)nonanenitrile

Systemtic Name: 2-butyl-3-methyl-2-(phenylsulfonyl)nonanenitrile Openeye Name: 2-(benzenesulfonyl)-2-butyl-3-methyl-nonanenitrile CAS Name: 2-(benzenesulfonyl)-2-butyl-3-methylnonanenitrile IUPAC Name: 2-(benzenesulfonyl)-2-butyl-3-methylnonanenitrile Traditional Name: 2-besyl-2-butyl-3-methyl-pelargononitrile Formula: C20H31NO2S MolecularWeight: 349.53064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(CCCC)(C#N)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C)C(CCCC)(C#N)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H31NO2S/c1-4-6-8-10-13-18(3)20(17-21,16-7-5-2)24(22,23)19-14-11-9-12-15-19/h9,11-12,14-15,18H,4-8,10,13,16H2,1-3H3