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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(dimethylamino)-2-oxidanylidene-ethyl]propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(dimethylamino)-2-oxo-ethyl]propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(dimethylamino)-2-keto-ethyl]propionamide Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CN(C)C(=O)CNC(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C16H23N3O6S/c1-19(2)16(21)11-17-15(20)6-7-18-26(22,23)12-4-5-13-14(10-12)25-9-3-8-24-13/h4-5,10,18H,3,6-9,11H2,1-2H3,(H,17,20)