(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-sulfamoyl-benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-sulfamoyl-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-sulfamoyl-benzoate CAS Name: 4-methoxy-3-sulfamoylbenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-sulfamoylbenzoate Traditional Name: 4-methoxy-3-sulfamoyl-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C16H14ClNO7S MolecularWeight: 399.80286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)N

InChI

InChI=1S/C16H14ClNO7S/c1-22-12-3-2-10(6-14(12)26(18,20)21)16(19)23-7-9-4-11(17)15-13(5-9)24-8-25-15/h2-6H,7-8H2,1H3,(H2,18,20,21)