(7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-[2-(methylsulfonylamino)ethyl]thiophene-2-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-[2-(methylsulfonylamino)ethyl]thiophene-2-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate CAS Name: 5-[2-(methanesulfonamido)ethyl]-2-thiophenecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate Traditional Name: 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C16H16ClNO6S2 MolecularWeight: 417.88434

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H16ClNO6S2/c1-26(20,21)18-5-4-11-2-3-14(25-11)16(19)22-8-10-6-12(17)15-13(7-10)23-9-24-15/h2-3,6-7,18H,4-5,8-9H2,1H3