1-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane

Systemtic Name: 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane Openeye Name: 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane CAS Name: 1-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]phenyl]sulfonylazepane IUPAC Name: 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane Traditional Name: 1-[4-[4-(2-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=CC=C4F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H28FN3O4S2/c23-21-7-3-4-8-22(21)24-15-17-26(18-16-24)32(29,30)20-11-9-19(10-12-20)31(27,28)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-18H2