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

Systemtic Name: N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-methyl-3-(m-tolylsulfamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-methyl-3-(m-tolylsulfamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C23H24N2O6S2 MolecularWeight: 488.57646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C23H24N2O6S2/c1-16-5-3-6-18(13-16)25-33(28,29)23-14-19(8-7-17(23)2)24-32(26,27)20-9-10-21-22(15-20)31-12-4-11-30-21/h3,5-10,13-15,24-25H,4,11-12H2,1-2H3