N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-fluorophenyl)sulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(2-fluorophenyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-fluorophenyl)sulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(2-fluorophenyl)thio]acetamide Formula: C20H23FN2O3S2 MolecularWeight: 422.536623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O3S2/c21-18-10-3-4-11-19(18)27-15-20(24)22-16-8-7-9-17(14-16)28(25,26)23-12-5-1-2-6-13-23/h3-4,7-11,14H,1-2,5-6,12-13,15H2,(H,22,24)