(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-oxidanyl-butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-oxidanyl-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-butanoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19ClN2O9S MolecularWeight: 486.88016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O9S/c1-11(23)17(21-32(27,28)16-4-2-14(20)3-5-16)19(24)30-9-13-7-15(22(25)26)6-12-8-29-10-31-18(12)13/h2-7,11,17,21,23H,8-10H2,1H3