(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[allyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[phenyl(prop-2-enyl)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-[phenyl(prop-2-enyl)sulfamoyl]benzoate Traditional Name: 3-[allyl(phenyl)sulfamoyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H22N2O8S MolecularWeight: 510.51578

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C25H22N2O8S/c1-2-11-26(21-8-4-3-5-9-21)36(31,32)23-10-6-7-18(14-23)25(28)34-16-20-13-22(27(29)30)12-19-15-33-17-35-24(19)20/h2-10,12-14H,1,11,15-17H2