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

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(4-phenoxyphenyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[methylsulfonyl(p-tolylmethyl)amino]-N-(4-phenoxyphenyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-(4-phenoxyphenyl)benzothiophene-2-carboxamide Formula: C30H26N2O4S2 MolecularWeight: 542.66844

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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)OC5=CC=CC=C5)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)OC5=CC=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C30H26N2O4S2/c1-21-8-10-22(11-9-21)20-32(38(2,34)35)25-14-17-28-23(18-25)19-29(37-28)30(33)31-24-12-15-27(16-13-24)36-26-6-4-3-5-7-26/h3-19H,20H2,1-2H3,(H,31,33)