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

Systemtic Name: N-(diphenylmethyl)-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-benzhydryl-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-(diphenylmethyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-benzhydryl-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-benzhydryl-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C31H28N2O3S2 MolecularWeight: 540.69562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C31H28N2O3S2/c1-22-13-15-23(16-14-22)21-33(38(2,35)36)27-17-18-28-26(19-27)20-29(37-28)31(34)32-30(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-20,30H,21H2,1-2H3,(H,32,34)