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

Systemtic Name: 1-(4-fluoranyl-2-nitro-5-piperidin-1-yl-phenyl)-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[4-fluoro-2-nitro-5-(1-piperidyl)phenyl]piperazine CAS Name: 1-(benzenesulfonyl)-4-[4-fluoro-2-nitro-5-(1-piperidinyl)phenyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)piperazine Traditional Name: 1-besyl-4-(4-fluoro-2-nitro-5-piperidino-phenyl)piperazine Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-])F

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H25FN4O4S/c22-18-15-21(26(27)28)20(16-19(18)23-9-5-2-6-10-23)24-11-13-25(14-12-24)31(29,30)17-7-3-1-4-8-17/h1,3-4,7-8,15-16H,2,5-6,9-14H2