N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4-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=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O3S2/c21-16-8-10-18(11-9-16)27-15-20(24)22-17-6-5-7-19(14-17)28(25,26)23-12-3-1-2-4-13-23/h5-11,14H,1-4,12-13,15H2,(H,22,24)