2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-[3-(methylthio)phenyl]acetamide Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)SC)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)SC)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H22N2O5S2/c1-21(13-19(22)20-14-5-3-6-15(11-14)27-2)28(23,24)16-7-8-17-18(12-16)26-10-4-9-25-17/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,20,22)