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

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-pentyl-1-benzothiophene-2-carboxamide Openeye Name: 5-[methylsulfonyl(p-tolylmethyl)amino]-N-pentyl-benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pentyl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pentyl-1-benzothiophene-2-carboxamide Traditional Name: N-amyl-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C23H28N2O3S2 MolecularWeight: 444.61002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC2=C(S1)C=CC(=C2)N(CC3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CCCCCNC(=O)C1=CC2=C(S1)C=CC(=C2)N(CC3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C23H28N2O3S2/c1-4-5-6-13-24-23(26)22-15-19-14-20(11-12-21(19)29-22)25(30(3,27)28)16-18-9-7-17(2)8-10-18/h7-12,14-15H,4-6,13,16H2,1-3H3,(H,24,26)