methyl 3-(pyridin-3-ylmethylsulfamoyl)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(pyridin-3-ylmethylsulfamoyl)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(3-pyridylmethylsulfamoyl)benzothiophene-2-carboxylate CAS Name: 3-(3-pyridinylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(pyridin-3-ylmethylsulfamoyl)-1-benzothiophene-2-carboxylate Traditional Name: 3-(3-pyridylmethylsulfamoyl)benzothiophene-2-carboxylic acid methyl ester Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)NCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C16H14N2O4S2/c1-22-16(19)14-15(12-6-2-3-7-13(12)23-14)24(20,21)18-10-11-5-4-8-17-9-11/h2-9,18H,10H2,1H3