3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)propanamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)propionamide Formula: C20H32N3O6S+ MolecularWeight: 442.54958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2)[NH+]3CCOCC3

InChI

InChI=1S/C20H31N3O6S/c1-20(2,23-8-12-27-13-9-23)15-21-19(24)6-7-22-30(25,26)16-4-5-17-18(14-16)29-11-3-10-28-17/h4-5,14,22H,3,6-13,15H2,1-2H3,(H,21,24)/p+1