methyl 3-[methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfamoyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfamoyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[2-(benzylamino)-2-oxo-ethyl]-methyl-sulfamoyl]benzothiophene-2-carboxylate CAS Name: 3-[methyl-[2-oxo-2-[(phenylmethyl)amino]ethyl]sulfamoyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(benzylamino)-2-oxoethyl]-methylsulfamoyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-(benzylamino)-2-keto-ethyl]-methyl-sulfamoyl]benzothiophene-2-carboxylic acid methyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=C(SC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CN(CC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=C(SC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C20H20N2O5S2/c1-22(13-17(23)21-12-14-8-4-3-5-9-14)29(25,26)19-15-10-6-7-11-16(15)28-18(19)20(24)27-2/h3-11H,12-13H2,1-2H3,(H,21,23)