4-chloranyl-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(1R)-1-cyano-1-cyclopropylethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[(1R)-1-cyano-1-cyclopropylethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-3-nitro-benzenesulfonamide Formula: C12H12ClN3O4S MolecularWeight: 329.75938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@](C#N)(C1CC1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H12ClN3O4S/c1-12(7-14,8-2-3-8)15-21(19,20)9-4-5-10(13)11(6-9)16(17)18/h4-6,8,15H,2-3H2,1H3/t12-/m0/s1