(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-morpholin-4-ylsulfonylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20N2O9S MolecularWeight: 464.4458

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H20N2O9S/c23-20(14-2-1-3-18(10-14)32(26,27)21-4-6-28-7-5-21)30-12-16-9-17(22(24)25)8-15-11-29-13-31-19(15)16/h1-3,8-10H,4-7,11-13H2