4-chloranyl-N-[(4-cyanophenyl)methyl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(4-cyanophenyl)methyl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[(4-cyanophenyl)methyl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(4-cyanophenyl)methyl]-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[(4-cyanophenyl)methyl]-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(4-cyanobenzyl)-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C22H18ClN3O4S/c1-15-3-10-21(16(2)11-15)25(14-18-6-4-17(13-24)5-7-18)31(29,30)19-8-9-20(23)22(12-19)26(27)28/h3-12H,14H2,1-2H3