5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine

Systemtic Name: 5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine Openeye Name: 5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine CAS Name: 5-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidine IUPAC Name: 5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidine Traditional Name: 5-[[4-(4-fluorophenyl)sulfonylpiperazino]methyl]-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine Formula: C28H26FN5O4S MolecularWeight: 547.600543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC(=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H26FN5O4S/c1-20-26(19-32-14-16-33(17-15-32)39(37,38)25-12-10-23(29)11-13-25)27(22-8-5-9-24(18-22)34(35)36)31-28(30-20)21-6-3-2-4-7-21/h2-13,18H,14-17,19H2,1H3