4-[(1R)-1-cyano-2-(4-methylphenyl)ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(1R)-1-cyano-2-(4-methylphenyl)ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(1R)-1-cyano-2-(p-tolyl)ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(1R)-1-cyano-2-(4-methylphenyl)ethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(1R)-1-cyano-2-(4-methylphenyl)ethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(1R)-1-cyano-2-(p-tolyl)ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC(CC2=CC=C(C=C2)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O[C@H](CC2=CC=C(C=C2)C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-4-22(5-2)29(26,27)18-10-11-20(19(13-18)23(24)25)28-17(14-21)12-16-8-6-15(3)7-9-16/h6-11,13,17H,4-5,12H2,1-3H3/t17-/m1/s1