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

Systemtic Name: 4-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidine Openeye Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidine CAS Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonyl-1-piperazinyl]-6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidine IUPAC Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonylpiperazin-1-yl]-6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidine Traditional Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazino]-6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidine Formula: C24H25ClFN5O4S MolecularWeight: 534.002803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC4=CC(=CC=C4)F

InChI

InChI=1S/C24H25ClFN5O4S/c1-3-22-20(14-17-5-4-6-18(26)13-17)24(28-16(2)27-22)29-9-11-30(12-10-29)36(34,35)19-7-8-21(25)23(15-19)31(32)33/h4-8,13,15H,3,9-12,14H2,1-2H3