1-(4-fluoranyl-2-nitro-5-piperidin-1-yl-phenyl)-4-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(4-fluoranyl-2-nitro-5-piperidin-1-yl-phenyl)-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-[4-fluoro-2-nitro-5-(1-piperidyl)phenyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-[4-fluoro-2-nitro-5-(1-piperidinyl)phenyl]-4-(4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)-4-(4-methylphenyl)sulfonylpiperazine Traditional Name: 1-(4-fluoro-2-nitro-5-piperidino-phenyl)-4-tosyl-piperazine Formula: C22H27FN4O4S MolecularWeight: 462.537583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3[N+](=O)[O-])F)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3[N+](=O)[O-])F)N4CCCCC4

InChI

InChI=1S/C22H27FN4O4S/c1-17-5-7-18(8-6-17)32(30,31)26-13-11-25(12-14-26)21-16-20(24-9-3-2-4-10-24)19(23)15-22(21)27(28)29/h5-8,15-16H,2-4,9-14H2,1H3