1-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)-4-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-(4-fluoro-2-nitro-5-pyrrolidin-1-yl-phenyl)-4-(p-tolylsulfonyl)piperazine CAS Name: 1-[4-fluoro-2-nitro-5-(1-pyrrolidinyl)phenyl]-4-(4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)-4-(4-methylphenyl)sulfonylpiperazine Traditional Name: 1-(4-fluoro-2-nitro-5-pyrrolidino-phenyl)-4-tosyl-piperazine Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3[N+](=O)[O-])F)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3[N+](=O)[O-])F)N4CCCC4

InChI

InChI=1S/C21H25FN4O4S/c1-16-4-6-17(7-5-16)31(29,30)25-12-10-24(11-13-25)20-15-19(23-8-2-3-9-23)18(22)14-21(20)26(27)28/h4-7,14-15H,2-3,8-13H2,1H3