1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C19H28FN3O4S MolecularWeight: 413.506723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)F

InChI

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