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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butanoic 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]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21ClN2O8S2 MolecularWeight: 516.97234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O8S2/c1-32-7-6-18(22-33(27,28)17-4-2-15(21)3-5-17)20(24)30-11-14-9-16(23(25)26)8-13-10-29-12-31-19(13)14/h2-5,8-9,18,22H,6-7,10-12H2,1H3