5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[methylsulfonyl(p-tolylmethyl)amino]-N-(3-pyridylmethyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-pyridinylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-(3-pyridylmethyl)benzothiophene-2-carboxamide Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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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)NCC4=CN=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NCC4=CN=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C24H23N3O3S2/c1-17-5-7-18(8-6-17)16-27(32(2,29)30)21-9-10-22-20(12-21)13-23(31-22)24(28)26-15-19-4-3-11-25-14-19/h3-14H,15-16H2,1-2H3,(H,26,28)