N-[[1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-4-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-4-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydrobenzothiophen-4-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[(3-besyl-1,1-diketo-2,3-dihydrobenzothiophen-4-yl)methyl]nicotinamide Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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