5-oxidanyl-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-4-carboxamide

Systemtic Name: 5-oxidanyl-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-4-carboxamide Openeye Name: 3-(benzenesulfonyl)-5-hydroxy-1,1-dioxo-N-(3-pyridylmethyl)-2,3-dihydrobenzothiophene-4-carboxamide CAS Name: 3-(benzenesulfonyl)-5-hydroxy-1,1-dioxo-N-(3-pyridinylmethyl)-2,3-dihydro-1-benzothiophene-4-carboxamide IUPAC Name: 3-(benzenesulfonyl)-5-hydroxy-1,1-dioxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-4-carboxamide Traditional Name: 3-besyl-5-hydroxy-1,1-diketo-N-(3-pyridylmethyl)-2,3-dihydrobenzothiophene-4-carboxamide Formula: C21H18N2O6S2 MolecularWeight: 458.50742

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(S1(=O)=O)C=CC(=C2C(=O)NCC3=CN=CC=C3)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(S1(=O)=O)C=CC(=C2C(=O)NCC3=CN=CC=C3)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O6S2/c24-16-8-9-17-20(19(16)21(25)23-12-14-5-4-10-22-11-14)18(13-30(17,26)27)31(28,29)15-6-2-1-3-7-15/h1-11,18,24H,12-13H2,(H,23,25)