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

Systemtic Name: N-butyl-5-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-butyl-5-[(4-chlorophenyl)methyl-methylsulfonyl-amino]benzothiophene-2-carboxamide CAS Name: N-butyl-5-[(4-chlorophenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-butyl-5-[(4-chlorophenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-butyl-5-[(4-chlorobenzyl)-mesyl-amino]benzothiophene-2-carboxamide Formula: C21H23ClN2O3S2 MolecularWeight: 451.00192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O3S2/c1-3-4-11-23-21(25)20-13-16-12-18(9-10-19(16)28-20)24(29(2,26)27)14-15-5-7-17(22)8-6-15/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,23,25)