2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine Openeye Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine CAS Name: 2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-4-(trifluoromethyl)pyrimidine IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine Traditional Name: 2-(4-p-phenetylsulfonylpiperazino)-4-(trifluoromethyl)pyrimidine Formula: C17H19F3N4O3S MolecularWeight: 416.41797

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C17H19F3N4O3S/c1-2-27-13-3-5-14(6-4-13)28(25,26)24-11-9-23(10-12-24)16-21-8-7-15(22-16)17(18,19)20/h3-8H,2,9-12H2,1H3