N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[phenylsulfonyl(pyridin-4-yl)amino]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[phenylsulfonyl(pyridin-4-yl)amino]ethanamide Openeye Name: 2-[benzenesulfonyl(4-pyridyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[benzenesulfonyl(pyridin-4-yl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[benzenesulfonyl(pyridin-4-yl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[besyl(4-pyridyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN(C3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN(C3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4)OC1

InChI

InChI=1S/C22H21N3O5S/c26-22(24-17-7-8-20-21(15-17)30-14-4-13-29-20)16-25(18-9-11-23-12-10-18)31(27,28)19-5-2-1-3-6-19/h1-3,5-12,15H,4,13-14,16H2,(H,24,26)