N-[(2R,3S)-3-cyanooctan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2R,3S)-3-cyanooctan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,2S)-2-cyano-1-methyl-heptyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2R,3S)-3-cyanooctan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2R,3S)-3-cyanooctan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,2S)-2-cyano-1-methyl-heptyl]-4-methyl-benzenesulfonamide Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@H](C#N)[C@@H](C)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H24N2O2S/c1-4-5-6-7-15(12-17)14(3)18-21(19,20)16-10-8-13(2)9-11-16/h8-11,14-15,18H,4-7H2,1-3H3/t14-,15-/m1/s1