N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H26N2O6S2 MolecularWeight: 454.56024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6S2/c1-4-22(5-2)30(25,26)20-13-16(8-7-15(20)3)21-29(23,24)17-9-10-18-19(14-17)28-12-6-11-27-18/h7-10,13-14,21H,4-6,11-12H2,1-3H3