1-(2-fluorophenyl)-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine

Systemtic Name: 1-(2-fluorophenyl)-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine Openeye Name: 1-(2-fluorophenyl)-4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazine CAS Name: 1-(2-fluorophenyl)-4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]piperazine IUPAC Name: 1-(2-fluorophenyl)-4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-(2-fluorophenyl)-4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazine Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C21H25FN4O4S/c22-18-6-2-3-7-19(18)23-12-14-24(15-13-23)20-9-8-17(16-21(20)26(27)28)31(29,30)25-10-4-1-5-11-25/h2-3,6-9,16H,1,4-5,10-15H2