N-tert-butyl-2-fluoranyl-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-tert-butyl-2-fluoranyl-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-tert-butyl-2-fluoro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-tert-butyl-2-fluoro-5-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-tert-butyl-2-fluoro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-tert-butyl-2-fluoro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H25FN4O5S MolecularWeight: 464.510403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O5S/c1-21(2,3)23-32(30,31)19-14-15(4-9-18(19)22)20(27)25-12-10-24(11-13-25)16-5-7-17(8-6-16)26(28)29/h4-9,14,23H,10-13H2,1-3H3