(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methoxy-3-sulfamoyl-benzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methoxy-3-sulfamoyl-benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methoxy-3-sulfamoyl-benzoate CAS Name: 4-methoxy-3-sulfamoylbenzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methoxy-3-sulfamoylbenzoate Traditional Name: 4-methoxy-3-sulfamoyl-benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H16ClNO7S MolecularWeight: 413.82944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)N

InChI

InChI=1S/C17H16ClNO7S/c1-23-13-3-2-11(8-15(13)27(19,21)22)17(20)26-9-10-6-12(18)16-14(7-10)24-4-5-25-16/h2-3,6-8H,4-5,9H2,1H3,(H2,19,21,22)