N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H28N2O6S2/c1-4-24(5-2)32(26,27)17-8-10-19(28-3)18(14-17)23-22(25)15-31-16-7-9-20-21(13-16)30-12-6-11-29-20/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,23,25)