4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(4-fluorobenzoyl)piperazino]-3-nitro-benzenesulfonamide Formula: C17H17FN4O5S MolecularWeight: 408.404083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O5S/c18-13-3-1-12(2-4-13)17(23)21-9-7-20(8-10-21)15-6-5-14(28(19,26)27)11-16(15)22(24)25/h1-6,11H,7-10H2,(H2,19,26,27)