1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(3-fluoranylphenoxy)propan-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(3-fluoranylphenoxy)propan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-(3-fluorophenoxy)-1-propanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-(3-fluorophenoxy)propan-1-one Formula: C19H28FN3O4S MolecularWeight: 413.506723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCCCC2)OC3=CC(=CC=C3)F

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCCCC2)OC3=CC(=CC=C3)F

InChI

InChI=1S/C19H28FN3O4S/c1-16(27-18-8-6-7-17(20)15-18)19(24)21-11-13-23(14-12-21)28(25,26)22-9-4-2-3-5-10-22/h6-8,15-16H,2-5,9-14H2,1H3