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

Systemtic Name: N-tert-butyl-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S2/c1-15-6-8-16(9-7-15)14-24(29(5,26)27)18-10-11-19-17(12-18)13-20(28-19)21(25)23-22(2,3)4/h6-13H,14H2,1-5H3,(H,23,25)