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

Systemtic Name: 4-[(1S)-1-[(4-ethanoyl-2-nitro-phenyl)amino]ethyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[(1S)-1-(4-acetyl-2-nitro-anilino)ethyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[(1S)-1-(4-acetyl-2-nitroanilino)ethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[(1S)-1-(4-acetyl-2-nitroanilino)ethyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[(1S)-1-(4-acetyl-2-nitro-anilino)ethyl]-N,N-diethyl-benzenesulfonamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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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)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-5-22(6-2)29(27,28)18-10-7-16(8-11-18)14(3)21-19-12-9-17(15(4)24)13-20(19)23(25)26/h7-14,21H,5-6H2,1-4H3/t14-/m0/s1