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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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