5-[ethyl-(4-methylphenyl)sulfonyl-amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[ethyl-(4-methylphenyl)sulfonyl-amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide Openeye Name: N-allyl-5-[ethyl(p-tolylsulfonyl)amino]benzothiophene-2-carboxamide CAS Name: 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide Traditional Name: N-allyl-5-[ethyl(tosyl)amino]benzothiophene-2-carboxamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCC=C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCC=C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O3S2/c1-4-12-22-21(24)20-14-16-13-17(8-11-19(16)27-20)23(5-2)28(25,26)18-9-6-15(3)7-10-18/h4,6-11,13-14H,1,5,12H2,2-3H3,(H,22,24)