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

Systemtic Name: 5-[ethyl-(4-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[ethyl(p-tolylsulfonyl)amino]-N-(3-pyridylmethyl)benzothiophene-2-carboxamide CAS Name: 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-pyridinylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[ethyl(tosyl)amino]-N-(3-pyridylmethyl)benzothiophene-2-carboxamide Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H23N3O3S2/c1-3-27(32(29,30)21-9-6-17(2)7-10-21)20-8-11-22-19(13-20)14-23(31-22)24(28)26-16-18-5-4-12-25-15-18/h4-15H,3,16H2,1-2H3,(H,26,28)