5-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]sulfamoyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]sulfamoyl]-3-thenoic acid Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NS(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NS(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C18H21NO6S2/c1-11(2)17(12-4-5-14-15(8-12)25-7-3-6-24-14)19-27(22,23)16-9-13(10-26-16)18(20)21/h4-5,8-11,17,19H,3,6-7H2,1-2H3,(H,20,21)