2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[4-(trifluoromethyloxy)phenyl]propanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[4-(trifluoromethyloxy)phenyl]propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-[4-(trifluoromethoxy)phenyl]propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-[4-(trifluoromethoxy)phenyl]propionamide Formula: C20H29F3N4O4S MolecularWeight: 478.52887

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H29F3N4O4S/c1-16(19(28)24-17-6-8-18(9-7-17)31-20(21,22)23)25-12-14-27(15-13-25)32(29,30)26-10-4-2-3-5-11-26/h6-9,16H,2-5,10-15H2,1H3,(H,24,28)