4-[(1S)-1-[(2-cyano-4-nitro-phenyl)amino]ethyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[(1S)-1-[(2-cyano-4-nitro-phenyl)amino]ethyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[(1S)-1-(2-cyano-4-nitro-anilino)ethyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[(1S)-1-(2-cyano-4-nitroanilino)ethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[(1S)-1-(2-cyano-4-nitroanilino)ethyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[(1S)-1-(2-cyano-4-nitro-anilino)ethyl]-N,N-diethyl-benzenesulfonamide Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)[C@H](C)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H22N4O4S/c1-4-22(5-2)28(26,27)18-9-6-15(7-10-18)14(3)21-19-11-8-17(23(24)25)12-16(19)13-20/h6-12,14,21H,4-5H2,1-3H3/t14-/m0/s1