N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C#N)C2CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N[C@](C)(C#N)C2CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-9-3-6-11(7-12(9)16(17)18)21(19,20)15-13(2,8-14)10-4-5-10/h3,6-7,10,15H,4-5H2,1-2H3/t13-/m1/s1