4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-3-nitro-benzenesulfonamide Formula: C16H15ClF3N5O4S MolecularWeight: 465.83461

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C16H15ClF3N5O4S/c17-12-7-10(16(18,19)20)9-22-15(12)24-5-3-23(4-6-24)13-2-1-11(30(21,28)29)8-14(13)25(26)27/h1-2,7-9H,3-6H2,(H2,21,28,29)