1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-(4-fluoranyl-2-nitro-phenyl)piperazine

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-(4-fluoranyl-2-nitro-phenyl)piperazine Openeye Name: 1-(4-fluoro-2-nitro-phenyl)-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine Traditional Name: 1-(4-fluoro-2-nitro-phenyl)-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine Formula: C20H24FN3O4S MolecularWeight: 421.485663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O4S/c1-3-15(2)16-4-7-18(8-5-16)29(27,28)23-12-10-22(11-13-23)19-9-6-17(21)14-20(19)24(25)26/h4-9,14-15H,3,10-13H2,1-2H3/t15-/m0/s1