4-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(3,4-difluorophenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(3,4-difluorobenzoyl)piperazino]-3-nitro-benzenesulfonamide Formula: C17H16F2N4O5S MolecularWeight: 426.394546

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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)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)F

InChI

InChI=1S/C17H16F2N4O5S/c18-13-3-1-11(9-14(13)19)17(24)22-7-5-21(6-8-22)15-4-2-12(29(20,27)28)10-16(15)23(25)26/h1-4,9-10H,5-8H2,(H2,20,27,28)