N-[(2S)-2-cyano-3-methyl-butan-2-yl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C#N)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N[C@](C)(C#N)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4S/c1-9(2)13(4,8-14)15-21(19,20)11-6-5-10(3)12(7-11)16(17)18/h5-7,9,15H,1-4H3/t13-/m1/s1