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

Systemtic Name: N-(3-acetamidophenyl)-5-[(4-bromophenyl)sulfonyl-ethyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-(3-acetamidophenyl)-5-[(4-bromophenyl)sulfonyl-ethyl-amino]benzothiophene-2-carboxamide CAS Name: N-(3-acetamidophenyl)-5-[(4-bromophenyl)sulfonyl-ethylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(3-acetamidophenyl)-5-[(4-bromophenyl)sulfonyl-ethylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-(3-acetamidophenyl)-5-[brosyl(ethyl)amino]benzothiophene-2-carboxamide Formula: C25H22BrN3O4S2 MolecularWeight: 572.49388

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H22BrN3O4S2/c1-3-29(35(32,33)22-10-7-18(26)8-11-22)21-9-12-23-17(13-21)14-24(34-23)25(31)28-20-6-4-5-19(15-20)27-16(2)30/h4-15H,3H2,1-2H3,(H,27,30)(H,28,31)