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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxy-benzoate CAS Name: 4-methoxy-3-[methyl-(phenylmethyl)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-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate Traditional Name: 3-[benzyl(methyl)sulfamoyl]-4-methoxy-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H24N2O9S MolecularWeight: 528.53106

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)OC

InChI

InChI=1S/C25H24N2O9S/c1-26(13-17-6-4-3-5-7-17)37(31,32)23-12-18(8-9-22(23)33-2)25(28)35-15-20-11-21(27(29)30)10-19-14-34-16-36-24(19)20/h3-12H,13-16H2,1-2H3