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

Systemtic Name: 4-chloranyl-N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(2,4-dimethylphenyl)-N-(2-fluorobenzyl)-3-nitro-benzenesulfonamide Formula: C21H18ClFN2O4S MolecularWeight: 448.895023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC2=CC=CC=C2F)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC2=CC=CC=C2F)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H18ClFN2O4S/c1-14-7-10-20(15(2)11-14)24(13-16-5-3-4-6-19(16)23)30(28,29)17-8-9-18(22)21(12-17)25(26)27/h3-12H,13H2,1-2H3