3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)-4,5-dimethyl-benzoate

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)-4,5-dimethyl-benzoate Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)-4,5-dimethyl-benzoate CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)-4,5-dimethylbenzoate IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)-4,5-dimethylbenzoate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)-4,5-dimethyl-benzoate Formula: C18H18NO6S- MolecularWeight: 376.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C18H19NO6S/c1-11-8-13(18(20)21)9-17(12(11)2)26(22,23)19-14-4-5-15-16(10-14)25-7-3-6-24-15/h4-5,8-10,19H,3,6-7H2,1-2H3,(H,20,21)/p-1