(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-chlorophenyl)sulfonyl-methylamino]acetic 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)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17ClN2O8S MolecularWeight: 456.85418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O8S/c1-20(30(25,26)16-4-2-14(19)3-5-16)8-17(22)28-10-13-7-15(21(23)24)6-12-9-27-11-29-18(12)13/h2-7H,8-11H2,1H3