1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-2-thiophen-2-yl-azepane

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-2-thiophen-2-yl-azepane Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-2-(2-thienyl)azepane CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-2-thiophen-2-ylazepane IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-2-thiophen-2-ylazepane Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-2-(2-thienyl)azepane Formula: C16H17ClFNO2S2 MolecularWeight: 373.893083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)C3=CC=CS3

Isomeric SMILES

C1CCC(N(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)C3=CC=CS3

InChI

InChI=1S/C16H17ClFNO2S2/c17-13-11-12(7-8-14(13)18)23(20,21)19-9-3-1-2-5-15(19)16-6-4-10-22-16/h4,6-8,10-11,15H,1-3,5,9H2