[2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate

Systemtic Name: [2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate Openeye Name: [2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid [2-keto-2-[(2-keto-2-methoxy-ethyl)amino]ethyl] ester Formula: C21H22N2O9S MolecularWeight: 478.47238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)CNC(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H22N2O9S/c1-29-20(25)12-22-19(24)13-32-21(26)14-4-2-5-15(10-14)23-33(27,28)16-6-7-17-18(11-16)31-9-3-8-30-17/h2,4-7,10-11,23H,3,8-9,12-13H2,1H3,(H,22,24)