4-chloranyl-N-[(2-cyanophenyl)methyl]-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(2-cyanophenyl)methyl]-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 4-chloro-N-[(2-cyanophenyl)methyl]-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 4-chloro-N-[(2-cyanophenyl)methyl]-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(2-cyanophenyl)methyl]-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 4-chloro-N-(2-cyanobenzyl)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C21H13ClF3N3O4S MolecularWeight: 495.85883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClF3N3O4S/c22-19-9-8-18(11-20(19)28(29)30)33(31,32)27(13-15-5-2-1-4-14(15)12-26)17-7-3-6-16(10-17)21(23,24)25/h1-11H,13H2