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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O3S2/c1-28-20-11-9-19(10-12-20)23-22(25)15-8-18-6-13-21(14-7-18)29(26,27)24-16-4-2-3-5-17-24/h6-7,9-14H,2-5,8,15-17H2,1H3,(H,23,25)