N-[(4-tert-butylphenyl)methyl]-2-chloranyl-N-(2-fluorophenyl)-5-nitro-benzenesulfonamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-2-chloranyl-N-(2-fluorophenyl)-5-nitro-benzenesulfonamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-fluorophenyl)-5-nitro-benzenesulfonamide CAS Name: N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-fluorophenyl)-5-nitrobenzenesulfonamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-fluorophenyl)-5-nitrobenzenesulfonamide Traditional Name: N-(4-tert-butylbenzyl)-2-chloro-N-(2-fluorophenyl)-5-nitro-benzenesulfonamide Formula: C23H22ClFN2O4S MolecularWeight: 476.948183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C2=CC=CC=C2F)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C2=CC=CC=C2F)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H22ClFN2O4S/c1-23(2,3)17-10-8-16(9-11-17)15-26(21-7-5-4-6-20(21)25)32(30,31)22-14-18(27(28)29)12-13-19(22)24/h4-14H,15H2,1-3H3