5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[methylsulfonyl(p-tolylmethyl)amino]-N-(2,4,6-trimethylphenyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: N-mesityl-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C27H28N2O3S2 MolecularWeight: 492.65282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4=C(C=C(C=C4C)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4=C(C=C(C=C4C)C)C)S(=O)(=O)C

InChI

InChI=1S/C27H28N2O3S2/c1-17-6-8-21(9-7-17)16-29(34(5,31)32)23-10-11-24-22(14-23)15-25(33-24)27(30)28-26-19(3)12-18(2)13-20(26)4/h6-15H,16H2,1-5H3,(H,28,30)