N-[(1S,2S)-1-cyano-3-methyl-2-phenylmethoxy-butyl]-4-methyl-benzenesulfinamide

Systemtic Name: N-[(1S,2S)-1-cyano-3-methyl-2-phenylmethoxy-butyl]-4-methyl-benzenesulfinamide Openeye Name: N-[(1S,2S)-2-benzyloxy-1-cyano-3-methyl-butyl]-4-methyl-benzenesulfinamide CAS Name: N-[(1S,2S)-1-cyano-3-methyl-2-phenylmethoxybutyl]-4-methylbenzenesulfinamide IUPAC Name: N-[(1S,2S)-1-cyano-3-methyl-2-phenylmethoxybutyl]-4-methylbenzenesulfinamide Traditional Name: N-[(1S,2S)-2-benzoxy-1-cyano-3-methyl-butyl]-4-methyl-benzenesulfinamide Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)NC(C#N)C(C(C)C)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)[S@@](=O)N[C@@H](C#N)[C@H](C(C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O2S/c1-15(2)20(24-14-17-7-5-4-6-8-17)19(13-21)22-25(23)18-11-9-16(3)10-12-18/h4-12,15,19-20,22H,14H2,1-3H3/t19-,20-,25+/m0/s1