3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(methylthio)phenyl]propionamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O3S2/c1-28-21-9-5-4-8-20(21)23-22(25)15-12-18-10-13-19(14-11-18)29(26,27)24-16-6-2-3-7-17-24/h4-5,8-11,13-14H,2-3,6-7,12,15-17H2,1H3,(H,23,25)