N-[(1S)-1-cyano-2-(phenylmethyl)butyl]-4-methyl-benzenesulfinamide

Systemtic Name: N-[(1S)-1-cyano-2-(phenylmethyl)butyl]-4-methyl-benzenesulfinamide Openeye Name: N-[(1S)-2-benzyl-1-cyano-butyl]-4-methyl-benzenesulfinamide CAS Name: N-[(1S)-1-cyano-2-(phenylmethyl)butyl]-4-methylbenzenesulfinamide IUPAC Name: N-[(1S)-2-benzyl-1-cyanobutyl]-4-methylbenzenesulfinamide Traditional Name: N-[(1S)-2-benzyl-1-cyano-butyl]-4-methyl-benzenesulfinamide Formula: C19H22N2OS MolecularWeight: 326.45578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C(C#N)NS(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)[C@@H](C#N)N[S@@](=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H22N2OS/c1-3-17(13-16-7-5-4-6-8-16)19(14-20)21-23(22)18-11-9-15(2)10-12-18/h4-12,17,19,21H,3,13H2,1-2H3/t17?,19-,23+/m1/s1