N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-fluorophenyl)sulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(2-fluorophenyl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(2-fluorophenyl)sulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(2-fluorophenyl)thio]acetamide Formula: C20H22ClFN2O3S2 MolecularWeight: 456.981683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=CC=CC=C3F

InChI

InChI=1S/C20H22ClFN2O3S2/c21-16-10-9-15(29(26,27)24-11-5-1-2-6-12-24)13-18(16)23-20(25)14-28-19-8-4-3-7-17(19)22/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,23,25)