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

Systemtic Name: methyl 3-[[4-[bis(2-methylpropyl)sulfamoyl]phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[4-(diisobutylsulfamoyl)benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[4-(diisobutylsulfamoyl)benzoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C25H30N2O5S2 MolecularWeight: 502.6461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(SC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(SC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C25H30N2O5S2/c1-16(2)14-27(15-17(3)4)34(30,31)19-12-10-18(11-13-19)24(28)26-22-20-8-6-7-9-21(20)33-23(22)25(29)32-5/h6-13,16-17H,14-15H2,1-5H3,(H,26,28)