3-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]carbamoyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxomethyl]hydrazo]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbonyl)amino]carbamoyl]-N,N-diethyl-benzenesulfonamide Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H24ClN3O6S/c1-3-25(4-2)32(28,29)16-8-5-7-14(11-16)20(26)23-24-21(27)15-12-17(22)19-18(13-15)30-9-6-10-31-19/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3,(H,23,26)(H,24,27)