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

Systemtic Name: N-(4-ethoxyphenyl)-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-(4-ethoxyphenyl)-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-(4-ethoxyphenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-ethoxyphenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-p-phenetyl-benzothiophene-2-carboxamide Formula: C26H26N2O4S2 MolecularWeight: 494.62564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CC=C(C=C4)C)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CC=C(C=C4)C)S(=O)(=O)C

InChI

InChI=1S/C26H26N2O4S2/c1-4-32-23-12-9-21(10-13-23)27-26(29)25-16-20-15-22(11-14-24(20)33-25)28(34(3,30)31)17-19-7-5-18(2)6-8-19/h5-16H,4,17H2,1-3H3,(H,27,29)