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

Systemtic Name: N-[4-chloranyl-3-(2-dimethylaminoethyloxy)phenyl]-2-nitro-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[4-chloro-3-(2-dimethylaminoethyloxy)phenyl]-2-nitro-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[4-chloro-3-(2-dimethylaminoethyloxy)phenyl]-2-nitro-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[4-chloro-3-(2-dimethylaminoethyloxy)phenyl]-2-nitro-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[4-chloro-3-(2-dimethylaminoethyloxy)phenyl]-2-nitro-4-(trifluoromethyl)benzenesulfonamide Formula: C17H17ClF3N3O5S MolecularWeight: 467.84719

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=C(C=CC(=C1)NS(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)CCOC1=C(C=CC(=C1)NS(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClF3N3O5S/c1-23(2)7-8-29-15-10-12(4-5-13(15)18)22-30(27,28)16-6-3-11(17(19,20)21)9-14(16)24(25)26/h3-6,9-10,22H,7-8H2,1-2H3