2-[4-(2-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-4-(4-ethoxyphenyl)pyrimidine

Systemtic Name: 2-[4-(2-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-4-(4-ethoxyphenyl)pyrimidine Openeye Name: 2-[4-(2-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-4-(4-ethoxyphenyl)pyrimidine CAS Name: 2-[4-(2-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-4-(4-ethoxyphenyl)pyrimidine IUPAC Name: 2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-ethoxyphenyl)pyrimidine Traditional Name: 2-[4-(2-chloro-4-fluoro-phenyl)sulfonylpiperazino]-4-p-phenetyl-pyrimidine Formula: C22H22ClFN4O3S MolecularWeight: 476.951483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NC=C2)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NC=C2)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C22H22ClFN4O3S/c1-2-31-18-6-3-16(4-7-18)20-9-10-25-22(26-20)27-11-13-28(14-12-27)32(29,30)21-8-5-17(24)15-19(21)23/h3-10,15H,2,11-14H2,1H3