1-[4-fluoranyl-5-(4-methylpiperidin-1-yl)-2-nitro-phenyl]-4-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[4-fluoranyl-5-(4-methylpiperidin-1-yl)-2-nitro-phenyl]-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-[4-fluoro-5-(4-methyl-1-piperidyl)-2-nitro-phenyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-[4-fluoro-5-(4-methyl-1-piperidinyl)-2-nitrophenyl]-4-(4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-[4-fluoro-5-(4-methylpiperidin-1-yl)-2-nitrophenyl]-4-(4-methylphenyl)sulfonylpiperazine Traditional Name: 1-[4-fluoro-5-(4-methylpiperidino)-2-nitro-phenyl]-4-tosyl-piperazine Formula: C23H29FN4O4S MolecularWeight: 476.564163

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)[N+](=O)[O-])F

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)[N+](=O)[O-])F

InChI

InChI=1S/C23H29FN4O4S/c1-17-3-5-19(6-4-17)33(31,32)27-13-11-26(12-14-27)22-16-21(20(24)15-23(22)28(29)30)25-9-7-18(2)8-10-25/h3-6,15-16,18H,7-14H2,1-2H3