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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC2=C(C=C1)OCCCO2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(CC(=O)NC1=CC2=C(C=C1)OCCCO2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

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