5-[4-(2-fluorophenyl)piperazin-1-yl]-1-[2-(phenylsulfonyl)ethyl]azepan-2-one

Systemtic Name: 5-[4-(2-fluorophenyl)piperazin-1-yl]-1-[2-(phenylsulfonyl)ethyl]azepan-2-one Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]azepan-2-one CAS Name: 1-[2-(benzenesulfonyl)ethyl]-5-[4-(2-fluorophenyl)-1-piperazinyl]-2-azepanone IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]azepan-2-one Traditional Name: 1-(2-besylethyl)-5-[4-(2-fluorophenyl)piperazino]azepan-2-one Formula: C24H30FN3O3S MolecularWeight: 459.576703

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1N2CCN(CC2)C3=CC=CC=C3F)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(CCC1N2CCN(CC2)C3=CC=CC=C3F)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H30FN3O3S/c25-22-8-4-5-9-23(22)27-16-14-26(15-17-27)20-10-11-24(29)28(13-12-20)18-19-32(30,31)21-6-2-1-3-7-21/h1-9,20H,10-19H2