methyl 2-[[4-[butyl(methyl)sulfamoyl]phenyl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[butyl(methyl)sulfamoyl]phenyl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[4-[butyl(methyl)sulfamoyl]phenyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]benzothiophene-3-carboxylic acid methyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C22H24N2O5S2/c1-4-5-14-24(2)31(27,28)16-12-10-15(11-13-16)20(25)23-21-19(22(26)29-3)17-8-6-7-9-18(17)30-21/h6-13H,4-5,14H2,1-3H3,(H,23,25)