1-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane

Systemtic Name: 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane Openeye Name: 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane CAS Name: 1-[4-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]phenyl]sulfonylazepane IUPAC Name: 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane Traditional Name: 1-[4-[4-(4-fluorophenyl)piperazino]sulfonylphenyl]sulfonylazepane Formula: C22H28FN3O4S2 MolecularWeight: 481.603823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H28FN3O4S2/c23-19-5-7-20(8-6-19)24-15-17-26(18-16-24)32(29,30)22-11-9-21(10-12-22)31(27,28)25-13-3-1-2-4-14-25/h5-12H,1-4,13-18H2