N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-[4-(2-fluorophenyl)piperazino]sulfonylethyl]-4-nitro-benzenesulfonamide Formula: C18H21FN4O6S2 MolecularWeight: 472.510943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21FN4O6S2/c19-17-3-1-2-4-18(17)21-10-12-22(13-11-21)30(26,27)14-9-20-31(28,29)16-7-5-15(6-8-16)23(24)25/h1-8,20H,9-14H2