N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methylsulfanyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methylsulfanyl-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(methylthio)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methylsulfanylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(methylthio)benzamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H24N2O3S2/c1-26-19-12-5-4-11-18(19)20(23)21-16-9-8-10-17(15-16)27(24,25)22-13-6-2-3-7-14-22/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,21,23)