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

Systemtic Name: N-(4-iodophenyl)-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-(4-iodophenyl)-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-(4-iodophenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-iodophenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-(4-iodophenyl)-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C24H21IN2O3S2 MolecularWeight: 576.46961

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

InChI

InChI=1S/C24H21IN2O3S2/c1-16-3-5-17(6-4-16)15-27(32(2,29)30)21-11-12-22-18(13-21)14-23(31-22)24(28)26-20-9-7-19(25)8-10-20/h3-14H,15H2,1-2H3,(H,26,28)