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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(m-tolyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-(m-tolyl)benzothiophene-2-carboxamide Formula: C24H21BrN2O3S2 MolecularWeight: 529.46914

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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)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)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H21BrN2O3S2/c1-3-27(32(29,30)21-10-7-18(25)8-11-21)20-9-12-22-17(14-20)15-23(31-22)24(28)26-19-6-4-5-16(2)13-19/h4-15H,3H2,1-2H3,(H,26,28)