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

Systemtic Name: N-(4-methylphenyl)-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: 5-[methylsulfonyl(p-tolylmethyl)amino]-N-(p-tolyl)benzothiophene-2-carboxamide CAS Name: N-(4-methylphenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-methylphenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-(p-tolyl)benzothiophene-2-carboxamide Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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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=C(C=C4)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O3S2/c1-17-4-8-19(9-5-17)16-27(32(3,29)30)22-12-13-23-20(14-22)15-24(31-23)25(28)26-21-10-6-18(2)7-11-21/h4-15H,16H2,1-3H3,(H,26,28)