N-(2-dimethylaminoethyl)-3-nitro-4-[[4-(trifluoromethyloxy)phenyl]methylamino]benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-nitro-4-[[4-(trifluoromethyloxy)phenyl]methylamino]benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-3-nitro-4-[[4-(trifluoromethoxy)phenyl]methylamino]benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-3-nitro-4-[[4-(trifluoromethoxy)phenyl]methylamino]benzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-3-nitro-4-[[4-(trifluoromethoxy)phenyl]methylamino]benzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-3-nitro-4-[[4-(trifluoromethoxy)benzyl]amino]benzenesulfonamide Formula: C18H21F3N4O5S MolecularWeight: 462.44335

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H21F3N4O5S/c1-24(2)10-9-23-31(28,29)15-7-8-16(17(11-15)25(26)27)22-12-13-3-5-14(6-4-13)30-18(19,20)21/h3-8,11,22-23H,9-10,12H2,1-2H3