2-[azepan-1-ylsulfonyl(methyl)amino]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[azepan-1-ylsulfonyl(methyl)amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[azepan-1-ylsulfonyl(methyl)amino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[1-azepanylsulfonyl(methyl)amino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[azepan-1-ylsulfonyl(methyl)amino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(methylthio)phenyl]acetamide Formula: C16H25N3O3S2 MolecularWeight: 371.518

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H25N3O3S2/c1-18(24(21,22)19-11-7-3-4-8-12-19)13-16(20)17-14-9-5-6-10-15(14)23-2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,17,20)