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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-pyridylmethyl)benzamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-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=CN=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)OC1

InChI

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