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

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(4-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(4-isopropylphenyl)-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-p-cumenyl-benzothiophene-2-carboxamide Formula: C27H28N2O3S2 MolecularWeight: 492.65282

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

InChI

InChI=1S/C27H28N2O3S2/c1-18(2)21-9-11-23(12-10-21)28-27(30)26-16-22-15-24(13-14-25(22)33-26)29(34(4,31)32)17-20-7-5-19(3)6-8-20/h5-16,18H,17H2,1-4H3,(H,28,30)