[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[3-(trifluoromethyl)phenyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[3-(trifluoromethyl)phenyl]methanone Formula: C18H24F3N3O3S MolecularWeight: 419.46167

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H24F3N3O3S/c19-18(20,21)16-7-5-6-15(14-16)17(25)22-10-12-24(13-11-22)28(26,27)23-8-3-1-2-4-9-23/h5-7,14H,1-4,8-13H2