(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-3-methyl-2-[[(E)-styryl]sulfonylamino]butanoate CAS Name: (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Traditional Name: (2R)-3-methyl-2-[[(E)-styryl]sulfonylamino]butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H24N2O8S MolecularWeight: 476.49956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O8S/c1-15(2)20(23-33(28,29)9-8-16-6-4-3-5-7-16)22(25)31-13-18-11-19(24(26)27)10-17-12-30-14-32-21(17)18/h3-11,15,20,23H,12-14H2,1-2H3/b9-8+/t20-/m1/s1