1-(4-ethylphenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane

Systemtic Name: 1-(4-ethylphenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Openeye Name: 1-(4-ethylphenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane CAS Name: 1-(4-ethylphenyl)sulfonyl-4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(4-ethylphenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Traditional Name: 1-(4-ethylphenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Formula: C18H21F3N4O2S MolecularWeight: 414.44515

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C18H21F3N4O2S/c1-2-14-4-6-15(7-5-14)28(26,27)25-11-3-10-24(12-13-25)17-22-9-8-16(23-17)18(19,20)21/h4-9H,2-3,10-13H2,1H3