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

Systemtic Name: 4-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)-5,6-dimethyl-pyrimidine Openeye Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)-5,6-dimethyl-pyrimidine CAS Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(3-fluorophenyl)-5,6-dimethylpyrimidine IUPAC Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)-5,6-dimethylpyrimidine Traditional Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazino]-2-(3-fluorophenyl)-5,6-dimethyl-pyrimidine Formula: C22H21ClFN5O4S MolecularWeight: 505.949643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C22H21ClFN5O4S/c1-14-15(2)25-21(16-4-3-5-17(24)12-16)26-22(14)27-8-10-28(11-9-27)34(32,33)18-6-7-19(23)20(13-18)29(30)31/h3-7,12-13H,8-11H2,1-2H3