N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-pyridylsulfonylamino)propanamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-pyridinylsulfonylamino)propanamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-pyridylsulfonylamino)propionamide Formula: C18H20ClN3O5S MolecularWeight: 425.8865

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CCNS(=O)(=O)C3=CN=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CCNS(=O)(=O)C3=CN=CC=C3)Cl)OC1

InChI

InChI=1S/C18H20ClN3O5S/c19-15-9-13(10-16-18(15)27-8-2-7-26-16)11-21-17(23)4-6-22-28(24,25)14-3-1-5-20-12-14/h1,3,5,9-10,12,22H,2,4,6-8,11H2,(H,21,23)