(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-[2-(methylsulfonylamino)ethyl]thiophene-2-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-[2-(methylsulfonylamino)ethyl]thiophene-2-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate CAS Name: 5-[2-(methanesulfonamido)ethyl]-2-thiophenecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate Traditional Name: 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H18ClNO6S2 MolecularWeight: 431.91092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C17H18ClNO6S2/c1-27(21,22)19-5-4-14-2-3-15(26-14)17(20)24-9-12-7-13(18)6-11-8-23-10-25-16(11)12/h2-3,6-7,19H,4-5,8-10H2,1H3