1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonylazepane

Systemtic Name: 1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonylazepane Openeye Name: 1-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]sulfonylazepane CAS Name: 1-[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]azepane IUPAC Name: 1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]sulfonylazepane Traditional Name: 1-[4-(2-chloro-4-fluoro-benzyl)piperazino]sulfonylazepane Formula: C17H25ClFN3O2S MolecularWeight: 389.915703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H25ClFN3O2S/c18-17-13-16(19)6-5-15(17)14-20-9-11-22(12-10-20)25(23,24)21-7-3-1-2-4-8-21/h5-6,13H,1-4,7-12,14H2