3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfamoyl]thiophene-2-carboxylate

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfamoyl]thiophene-2-carboxylate Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfamoyl]thiophene-2-carboxylate CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfamoyl]-2-thiophenecarboxylate IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfamoyl]-2-thenoate Formula: C15H13ClNO6S2- MolecularWeight: 402.84982

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNS(=O)(=O)C3=C(SC=C3)C(=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNS(=O)(=O)C3=C(SC=C3)C(=O)[O-])Cl)OC1

InChI

InChI=1S/C15H14ClNO6S2/c16-10-6-9(7-11-13(10)23-4-1-3-22-11)8-17-25(20,21)12-2-5-24-14(12)15(18)19/h2,5-7,17H,1,3-4,8H2,(H,18,19)/p-1