N-(3-imidazol-1-ylpropyl)-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-4-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-4-carboxamide Openeye Name: 3-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-1,1-dioxo-2,3-dihydrobenzothiophene-4-carboxamide CAS Name: 3-(benzenesulfonyl)-N-[3-(1-imidazolyl)propyl]-1,1-dioxo-2,3-dihydro-1-benzothiophene-4-carboxamide IUPAC Name: 3-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophene-4-carboxamide Traditional Name: 3-besyl-N-(3-imidazol-1-ylpropyl)-1,1-diketo-2,3-dihydrobenzothiophene-4-carboxamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC=C2S1(=O)=O)C(=O)NCCCN3C=CN=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(C=CC=C2S1(=O)=O)C(=O)NCCCN3C=CN=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S2/c25-21(23-10-5-12-24-13-11-22-15-24)17-8-4-9-18-20(17)19(14-30(18,26)27)31(28,29)16-6-2-1-3-7-16/h1-4,6-9,11,13,15,19H,5,10,12,14H2,(H,23,25)