3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]propanamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(isopropylamino)-2-oxo-ethyl]-N-methyl-propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(isopropylamino)-2-keto-ethyl]-N-methyl-propionamide Formula: C18H27N3O6S MolecularWeight: 413.48848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN(C)C(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)NC(=O)CN(C)C(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C18H27N3O6S/c1-13(2)20-17(22)12-21(3)18(23)7-8-19-28(24,25)14-5-6-15-16(11-14)27-10-4-9-26-15/h5-6,11,13,19H,4,7-10,12H2,1-3H3,(H,20,22)