1-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]azepane

Systemtic Name: 1-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]azepane Openeye Name: 1-[[1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-piperidyl]methyl]azepane CAS Name: 1-[[1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinyl]methyl]azepane IUPAC Name: 1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]azepane Traditional Name: 1-[[1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-piperidyl]methyl]azepane Formula: C18H26ClFN2O2S MolecularWeight: 388.927643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCCN(CC1)CC2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H26ClFN2O2S/c19-17-13-16(5-6-18(17)20)25(23,24)22-11-7-15(8-12-22)14-21-9-3-1-2-4-10-21/h5-6,13,15H,1-4,7-12,14H2