4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-pyridylmethyl)benzamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-pyridylmethyl)benzamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4)OC1

InChI

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