6-chloranyl-N-[4-(diethylsulfamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[4-(diethylsulfamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[4-(diethylsulfamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[4-(diethylsulfamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[4-(diethylsulfamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[4-(diethylsulfamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O5S/c1-3-23(4-2)29(25,26)16-8-6-15(7-9-16)22-20(24)14-12-17(21)19-18(13-14)27-10-5-11-28-19/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)