N-[(4-bromophenyl)methyl]-2-chloranyl-N-(2,4-dimethylphenyl)-5-nitro-benzenesulfonamide

Systemtic Name: N-[(4-bromophenyl)methyl]-2-chloranyl-N-(2,4-dimethylphenyl)-5-nitro-benzenesulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-2-chloro-N-(2,4-dimethylphenyl)-5-nitro-benzenesulfonamide CAS Name: N-[(4-bromophenyl)methyl]-2-chloro-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-2-chloro-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide Traditional Name: N-(4-bromobenzyl)-2-chloro-N-(2,4-dimethylphenyl)-5-nitro-benzenesulfonamide Formula: C21H18BrClN2O4S MolecularWeight: 509.80062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrClN2O4S/c1-14-3-10-20(15(2)11-14)24(13-16-4-6-17(22)7-5-16)30(28,29)21-12-18(25(26)27)8-9-19(21)23/h3-12H,13H2,1-2H3