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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-pyridylmethyl)propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-pyridylmethyl)propionamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NCC3=CC=CC=N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NCC3=CC=CC=N3)OC1

InChI

InChI=1S/C18H21N3O5S/c22-18(20-13-14-4-1-2-8-19-14)7-9-21-27(23,24)15-5-6-16-17(12-15)26-11-3-10-25-16/h1-2,4-6,8,12,21H,3,7,9-11,13H2,(H,20,22)