3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dimethyl-5-sulfamoyl-phenyl)propanamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dimethyl-5-sulfamoyl-phenyl)propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dimethyl-5-sulfamoyl-phenyl)propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dimethyl-5-sulfamoyl-phenyl)propionamide Formula: C20H25N3O7S2 MolecularWeight: 483.5584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1C)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N

InChI

InChI=1S/C20H25N3O7S2/c1-13-10-16(31(21,25)26)11-17(14(13)2)23-20(24)6-7-22-32(27,28)15-4-5-18-19(12-15)30-9-3-8-29-18/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,23,24)(H2,21,25,26)