N-(2,6-dimethylphenyl)-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-(2,6-dimethylphenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2,6-dimethylphenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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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=C(C=CC=C4C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4=C(C=CC=C4C)C)S(=O)(=O)C

InChI

InChI=1S/C26H26N2O3S2/c1-17-8-10-20(11-9-17)16-28(33(4,30)31)22-12-13-23-21(14-22)15-24(32-23)26(29)27-25-18(2)6-5-7-19(25)3/h5-15H,16H2,1-4H3,(H,27,29)