1-(4-fluorophenyl)carbonyl-3-[4-(phenylsulfonyl)piperazin-1-yl]azepan-2-one

Systemtic Name: 1-(4-fluorophenyl)carbonyl-3-[4-(phenylsulfonyl)piperazin-1-yl]azepan-2-one Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluorobenzoyl)azepan-2-one CAS Name: 3-[4-(benzenesulfonyl)-1-piperazinyl]-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: 3-(4-besylpiperazino)-1-(4-fluorobenzoyl)azepan-2-one Formula: C23H26FN3O4S MolecularWeight: 459.533643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O4S/c24-19-11-9-18(10-12-19)22(28)27-13-5-4-8-21(23(27)29)25-14-16-26(17-15-25)32(30,31)20-6-2-1-3-7-20/h1-3,6-7,9-12,21H,4-5,8,13-17H2