methyl 3-[(4-methylsulfonylphenyl)sulfonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-methylsulfonylphenyl)sulfonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-methylsulfonylphenyl)sulfonylamino]thiophene-2-carboxylate CAS Name: 3-[(4-methylsulfonylphenyl)sulfonylamino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-methylsulfonylphenyl)sulfonylamino]thiophene-2-carboxylate Traditional Name: 3-[(4-mesylphenyl)sulfonylamino]thiophene-2-carboxylic acid methyl ester Formula: C13H13NO6S3 MolecularWeight: 375.44042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(C=CS1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C13H13NO6S3/c1-20-13(15)12-11(7-8-21-12)14-23(18,19)10-5-3-9(4-6-10)22(2,16)17/h3-8,14H,1-2H3