N-[4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butyl]naphthalene-2-sulfonamide

Systemtic Name: N-[4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butyl]naphthalene-2-sulfonamide Openeye Name: N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]naphthalene-2-sulfonamide CAS Name: N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]-2-naphthalenesulfonamide IUPAC Name: N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]naphthalene-2-sulfonamide Traditional Name: N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]naphthalene-2-sulfonamide Formula: C21H20F3N3O4S MolecularWeight: 467.46141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N3O4S/c22-21(23,24)17-8-10-19(20(14-17)27(28)29)25-11-3-4-12-26-32(30,31)18-9-7-15-5-1-2-6-16(15)13-18/h1-2,5-10,13-14,25-26H,3-4,11-12H2