(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: 3-(4-morpholinosulfonylphenyl)acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H22N2O9S MolecularWeight: 490.48308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O9S/c25-21(32-14-18-12-19(24(26)27)11-17-13-31-15-33-22(17)18)6-3-16-1-4-20(5-2-16)34(28,29)23-7-9-30-10-8-23/h1-6,11-12H,7-10,13-15H2