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

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide Openeye Name: N-isopropyl-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide Traditional Name: N-isopropyl-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S2/c1-14(2)22-21(24)20-12-17-11-18(9-10-19(17)27-20)23(28(4,25)26)13-16-7-5-15(3)6-8-16/h5-12,14H,13H2,1-4H3,(H,22,24)