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

Systemtic Name: 4-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidine Openeye Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazin-1-yl]-5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidine CAS Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonyl-1-piperazinyl]-5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidine IUPAC Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonylpiperazin-1-yl]-5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidine Traditional Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazino]-5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidine Formula: C23H23ClFN5O4S MolecularWeight: 519.976223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC(=CC=C4)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC(=CC=C4)F)C

InChI

InChI=1S/C23H23ClFN5O4S/c1-3-19-15(2)26-22(16-5-4-6-17(25)13-16)27-23(19)28-9-11-29(12-10-28)35(33,34)18-7-8-20(24)21(14-18)30(31)32/h4-8,13-14H,3,9-12H2,1-2H3