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

Systemtic Name: N-(3-methoxyphenyl)-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-(3-methoxyphenyl)-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-(3-methoxyphenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(3-methoxyphenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-(3-methoxyphenyl)benzothiophene-2-carboxamide Formula: C25H24N2O4S2 MolecularWeight: 480.59906

Click to see the large picture

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)OC)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)OC)S(=O)(=O)C

InChI

InChI=1S/C25H24N2O4S2/c1-17-7-9-18(10-8-17)16-27(33(3,29)30)21-11-12-23-19(13-21)14-24(32-23)25(28)26-20-5-4-6-22(15-20)31-2/h4-15H,16H2,1-3H3,(H,26,28)