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

Systemtic Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(p-tolyl)acetamide CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(p-tolyl)acetamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H22N2O5S/c1-14-4-6-15(7-5-14)20-19(22)13-21(2)27(23,24)16-8-9-17-18(12-16)26-11-3-10-25-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22)