N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(phenylthio)acetamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S2/c23-20(16-26-18-8-4-3-5-9-18)21-17-10-12-19(13-11-17)27(24,25)22-14-6-1-2-7-15-22/h3-5,8-13H,1-2,6-7,14-16H2,(H,21,23)