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

Systemtic Name: 1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-4-carboxamide Openeye Name: 3-(benzenesulfonyl)-1,1-dioxo-N-(3-pyridylmethyl)-2,3-dihydrobenzothiophene-4-carboxamide CAS Name: 3-(benzenesulfonyl)-1,1-dioxo-N-(3-pyridinylmethyl)-2,3-dihydro-1-benzothiophene-4-carboxamide IUPAC Name: 3-(benzenesulfonyl)-1,1-dioxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-4-carboxamide Traditional Name: 3-besyl-1,1-diketo-N-(3-pyridylmethyl)-2,3-dihydrobenzothiophene-4-carboxamide Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC=C2S1(=O)=O)C(=O)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(C=CC=C2S1(=O)=O)C(=O)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O5S2/c24-21(23-13-15-6-5-11-22-12-15)17-9-4-10-18-20(17)19(14-29(18,25)26)30(27,28)16-7-2-1-3-8-16/h1-12,19H,13-14H2,(H,23,24)