(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate CAS Name: 3-[cyclohexyl(methyl)sulfamoyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate Traditional Name: 3-[cyclohexyl(methyl)sulfamoyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H26N2O8S MolecularWeight: 490.52614

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C23H26N2O8S/c1-24(19-7-3-2-4-8-19)34(29,30)21-9-5-6-16(12-21)23(26)32-14-18-11-20(25(27)28)10-17-13-31-15-33-22(17)18/h5-6,9-12,19H,2-4,7-8,13-15H2,1H3