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

Systemtic Name: N-(4-cyanophenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide CAS Name: N-(4-cyanophenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide Traditional Name: N-(4-cyanophenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-22(13-19(23)21-15-5-3-14(12-20)4-6-15)28(24,25)16-7-8-17-18(11-16)27-10-2-9-26-17/h3-8,11H,2,9-10,13H2,1H3,(H,21,23)