5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(2,4,6-trimethylphenyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-mesityl-benzothiophene-2-carboxamide Formula: C26H25BrN2O3S2 MolecularWeight: 557.5223

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=C(C=C(C=C3C)C)C)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=C(C=C(C=C3C)C)C)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrN2O3S2/c1-5-29(34(31,32)22-9-6-20(27)7-10-22)21-8-11-23-19(14-21)15-24(33-23)26(30)28-25-17(3)12-16(2)13-18(25)4/h6-15H,5H2,1-4H3,(H,28,30)