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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic 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-methylbutanoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21ClN2O8S MolecularWeight: 484.90734

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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)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O8S/c1-12(2)18(22-32(27,28)17-5-3-15(21)4-6-17)20(24)30-10-14-8-16(23(25)26)7-13-9-29-11-31-19(13)14/h3-8,12,18,22H,9-11H2,1-2H3