N-[3-[[4-nitro-2-(trifluoromethyl)phenyl]amino]propyl]naphthalene-2-sulfonamide

Systemtic Name: N-[3-[[4-nitro-2-(trifluoromethyl)phenyl]amino]propyl]naphthalene-2-sulfonamide Openeye Name: N-[3-[4-nitro-2-(trifluoromethyl)anilino]propyl]naphthalene-2-sulfonamide CAS Name: N-[3-[4-nitro-2-(trifluoromethyl)anilino]propyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-[4-nitro-2-(trifluoromethyl)anilino]propyl]naphthalene-2-sulfonamide Traditional Name: N-[3-[4-nitro-2-(trifluoromethyl)anilino]propyl]naphthalene-2-sulfonamide Formula: C20H18F3N3O4S MolecularWeight: 453.43483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCNC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCNC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H18F3N3O4S/c21-20(22,23)18-13-16(26(27)28)7-9-19(18)24-10-3-11-25-31(29,30)17-8-6-14-4-1-2-5-15(14)12-17/h1-2,4-9,12-13,24-25H,3,10-11H2