N,N-diethyl-4-[4-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-[2-(4-fluorophenyl)-2-hydroxy-ethyl]piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-[2-(4-fluorophenyl)-2-hydroxy-ethyl]piperazino]-3-nitro-benzenesulfonamide Formula: C22H29FN4O5S MolecularWeight: 480.552863

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(C3=CC=C(C=C3)F)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(C3=CC=C(C=C3)F)O)[N+](=O)[O-]

InChI

InChI=1S/C22H29FN4O5S/c1-3-26(4-2)33(31,32)19-9-10-20(21(15-19)27(29)30)25-13-11-24(12-14-25)16-22(28)17-5-7-18(23)8-6-17/h5-10,15,22,28H,3-4,11-14,16H2,1-2H3