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

Systemtic Name: N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H31N3O6S2 MolecularWeight: 497.62804

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCNC1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H31N3O6S2/c1-4-12-23-19-10-8-18(33(28,29)25(5-2)6-3)15-20(19)24-32(26,27)17-9-11-21-22(16-17)31-14-7-13-30-21/h8-11,15-16,23-24H,4-7,12-14H2,1-3H3