N-(3-acetamidophenyl)-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(3-acetamidophenyl)-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-(3-acetamidophenyl)-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-(3-acetamidophenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(3-acetamidophenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-(3-acetamidophenyl)-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC(=CC=C4)NC(=O)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC(=CC=C4)NC(=O)C)S(=O)(=O)C

InChI

InChI=1S/C26H25N3O4S2/c1-17-7-9-19(10-8-17)16-29(35(3,32)33)23-11-12-24-20(13-23)14-25(34-24)26(31)28-22-6-4-5-21(15-22)27-18(2)30/h4-15H,16H2,1-3H3,(H,27,30)(H,28,31)