5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(3-ethanoylphenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(3-ethanoylphenyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(3-acetylphenyl)-5-[(4-bromophenyl)sulfonyl-ethyl-amino]benzothiophene-2-carboxamide CAS Name: N-(3-acetylphenyl)-5-[(4-bromophenyl)sulfonyl-ethylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(3-acetylphenyl)-5-[(4-bromophenyl)sulfonyl-ethylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-(3-acetylphenyl)-5-[brosyl(ethyl)amino]benzothiophene-2-carboxamide Formula: C25H21BrN2O4S2 MolecularWeight: 557.47924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)C)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)C)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H21BrN2O4S2/c1-3-28(34(31,32)22-10-7-19(26)8-11-22)21-9-12-23-18(14-21)15-24(33-23)25(30)27-20-6-4-5-17(13-20)16(2)29/h4-15H,3H2,1-2H3,(H,27,30)