N-[(2S)-2-cyanobutan-2-yl]-4-methyl-benzenesulfinamide

Systemtic Name: N-[(2S)-2-cyanobutan-2-yl]-4-methyl-benzenesulfinamide Openeye Name: N-[(1S)-1-cyano-1-methyl-propyl]-4-methyl-benzenesulfinamide CAS Name: N-[(2S)-2-cyanobutan-2-yl]-4-methylbenzenesulfinamide IUPAC Name: N-[(2S)-2-cyanobutan-2-yl]-4-methylbenzenesulfinamide Traditional Name: N-[(1S)-1-cyano-1-methyl-propyl]-4-methyl-benzenesulfinamide Formula: C12H16N2OS MolecularWeight: 236.33324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#N)NS(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CC[C@@](C)(C#N)N[S@@](=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C12H16N2OS/c1-4-12(3,9-13)14-16(15)11-7-5-10(2)6-8-11/h5-8,14H,4H2,1-3H3/t12-,16-/m0/s1