1-[(2-fluorophenyl)methyl]-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazine

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazine Openeye Name: 1-[(2-fluorophenyl)methyl]-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazine CAS Name: 1-[(2-fluorophenyl)methyl]-4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]piperazine IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-(2-fluorobenzyl)-4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazine Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4F)[N+](=O)[O-]

InChI

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