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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20ClNO7S MolecularWeight: 453.8933

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C20H20ClNO7S/c1-13(23)14-3-5-18(6-4-14)30(25,26)22(2)9-19(24)28-11-16-8-17(21)7-15-10-27-12-29-20(15)16/h3-8H,9-12H2,1-2H3