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

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-4-nitro-benzenesulfonamide Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4S/c1-12(8-13,9-2-3-9)14-20(18,19)11-6-4-10(5-7-11)15(16)17/h4-7,9,14H,2-3H2,1H3/t12-/m0/s1