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

Systemtic Name: 1-[4-fluoranyl-5-(4-methylpiperidin-1-yl)-2-nitro-phenyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[4-fluoro-5-(4-methyl-1-piperidyl)-2-nitro-phenyl]piperazine CAS Name: 1-(benzenesulfonyl)-4-[4-fluoro-5-(4-methyl-1-piperidinyl)-2-nitrophenyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-[4-fluoro-5-(4-methylpiperidin-1-yl)-2-nitrophenyl]piperazine Traditional Name: 1-besyl-4-[4-fluoro-5-(4-methylpiperidino)-2-nitro-phenyl]piperazine Formula: C22H27FN4O4S MolecularWeight: 462.537583

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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=CC=C4)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O4S/c1-17-7-9-24(10-8-17)20-16-21(22(27(28)29)15-19(20)23)25-11-13-26(14-12-25)32(30,31)18-5-3-2-4-6-18/h2-6,15-17H,7-14H2,1H3