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

Systemtic Name: N,N-diethyl-4-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[3-(3-fluorophenyl)-1-oxopropyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-[3-(3-fluorophenyl)propanoyl]piperazino]-3-nitro-benzenesulfonamide Formula: C23H29FN4O5S MolecularWeight: 492.563563

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC(=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C23H29FN4O5S/c1-3-27(4-2)34(32,33)20-9-10-21(22(17-20)28(30)31)25-12-14-26(15-13-25)23(29)11-8-18-6-5-7-19(24)16-18/h5-7,9-10,16-17H,3-4,8,11-15H2,1-2H3