3-chloranyl-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-4-methyl-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-4-methyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-[(2S)-2-cyano-3-methylbutan-2-yl]-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-[(2S)-2-cyano-3-methylbutan-2-yl]-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-4-methyl-5-nitro-benzenesulfonamide Formula: C13H16ClN3O4S MolecularWeight: 345.80184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O4S/c1-8(2)13(4,7-15)16-22(20,21)10-5-11(14)9(3)12(6-10)17(18)19/h5-6,8,16H,1-4H3/t13-/m1/s1