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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(2,3-dimethylphenyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(2,3-dimethylphenyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2,3-dimethylphenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2,3-dimethylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-(2,3-dimethylphenyl)benzothiophene-2-carboxamide Formula: C25H23BrN2O3S2 MolecularWeight: 543.49572

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H23BrN2O3S2/c1-4-28(33(30,31)21-11-8-19(26)9-12-21)20-10-13-23-18(14-20)15-24(32-23)25(29)27-22-7-5-6-16(2)17(22)3/h5-15H,4H2,1-3H3,(H,27,29)