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

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-phenyl-1-benzothiophene-2-carboxamide Openeye Name: 5-[methylsulfonyl(p-tolylmethyl)amino]-N-phenyl-benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-phenyl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-phenyl-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-phenyl-benzothiophene-2-carboxamide Formula: C24H22N2O3S2 MolecularWeight: 450.57308

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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)NC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C24H22N2O3S2/c1-17-8-10-18(11-9-17)16-26(31(2,28)29)21-12-13-22-19(14-21)15-23(30-22)24(27)25-20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,25,27)