(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(cyclopropylsulfamoyl)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(cyclopropylsulfamoyl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(cyclopropylsulfamoyl)benzoate CAS Name: 4-(cyclopropylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(cyclopropylsulfamoyl)benzoate Traditional Name: 4-(cyclopropylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H18N2O8S MolecularWeight: 434.41982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H18N2O8S/c22-19(12-1-5-17(6-2-12)30(25,26)20-15-3-4-15)28-10-14-8-16(21(23)24)7-13-9-27-11-29-18(13)14/h1-2,5-8,15,20H,3-4,9-11H2