N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyridine-3-sulfonamide

Systemtic Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyridine-3-sulfonamide Openeye Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxo-propyl]pyridine-3-sulfonamide CAS Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-3-oxopropyl]-3-pyridinesulfonamide IUPAC Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide Traditional Name: N-[3-keto-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propyl]pyridine-3-sulfonamide Formula: C19H20F3N5O5S MolecularWeight: 487.45281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCNS(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCNS(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H20F3N5O5S/c20-19(21,22)14-3-4-16(17(12-14)27(29)30)25-8-10-26(11-9-25)18(28)5-7-24-33(31,32)15-2-1-6-23-13-15/h1-4,6,12-13,24H,5,7-11H2