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

Systemtic Name: N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6S2/c1-13(14-4-6-15(7-5-14)27(19,21)22)20(2)28(23,24)16-8-9-17-18(12-16)26-11-3-10-25-17/h4-9,12-13H,3,10-11H2,1-2H3,(H2,19,21,22)