N-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

Systemtic Name: N-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Openeye Name: N-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide CAS Name: N-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide IUPAC Name: N-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Traditional Name: N-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Formula: C16H14F3N3O4S MolecularWeight: 401.36027

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1C(NCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H14F3N3O4S/c17-16(18,19)15-8-10-1-6-14(7-11(10)9-20-15)27(25,26)21-12-2-4-13(5-3-12)22(23)24/h1-7,15,20-21H,8-9H2