1-(4-fluoranyl-3-methyl-phenyl)sulfonyl-4-(4-nitro-3-piperidin-1-yl-phenyl)piperazine

Systemtic Name: 1-(4-fluoranyl-3-methyl-phenyl)sulfonyl-4-(4-nitro-3-piperidin-1-yl-phenyl)piperazine Openeye Name: 1-(4-fluoro-3-methyl-phenyl)sulfonyl-4-[4-nitro-3-(1-piperidyl)phenyl]piperazine CAS Name: 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[4-nitro-3-(1-piperidinyl)phenyl]piperazine IUPAC Name: 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine Traditional Name: 1-(4-fluoro-3-methyl-phenyl)sulfonyl-4-(4-nitro-3-piperidino-phenyl)piperazine Formula: C22H27FN4O4S MolecularWeight: 462.537583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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