2-fluoranyl-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzenesulfonamide

Systemtic Name: 2-fluoranyl-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzenesulfonamide Openeye Name: 2-fluoro-N-[(1S)-2-methyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzenesulfonamide CAS Name: 2-fluoro-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]benzenesulfonamide IUPAC Name: 2-fluoro-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide Traditional Name: 2-fluoro-N-[(1S)-2-methyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzenesulfonamide Formula: C21H25FN4O5S MolecularWeight: 464.510403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H25FN4O5S/c1-15(2)20(23-32(30,31)19-6-4-3-5-18(19)22)21(27)25-13-11-24(12-14-25)16-7-9-17(10-8-16)26(28)29/h3-10,15,20,23H,11-14H2,1-2H3/t20-/m0/s1