N-[6-chloranyl-5-(3-nitrophenyl)pyrimidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[6-chloranyl-5-(3-nitrophenyl)pyrimidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[6-chloro-5-(3-nitrophenyl)pyrimidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[6-chloro-5-(3-nitrophenyl)-4-pyrimidinyl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[6-chloro-5-(3-nitrophenyl)pyrimidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[6-chloro-5-(3-nitrophenyl)pyrimidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide Formula: C17H10ClF3N4O4S MolecularWeight: 458.79891

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N=CN=C2Cl)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N=CN=C2Cl)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H10ClF3N4O4S/c18-15-14(10-2-1-3-12(8-10)25(26)27)16(23-9-22-15)24-30(28,29)13-6-4-11(5-7-13)17(19,20)21/h1-9H,(H,22,23,24)