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

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide Openeye Name: N-allyl-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide Traditional Name: N-allyl-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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