1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[3-(2-thioxo-4-imidazolin-1-yl)phenyl]pyrrolidine-2-carboxamide Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC=CC(=C4)N5C=CNC5=S

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC=CC(=C4)N5C=CNC5=S

InChI

InChI=1S/C22H22N4O5S2/c27-21(24-15-3-1-4-16(13-15)25-10-8-23-22(25)32)18-5-2-9-26(18)33(28,29)17-6-7-19-20(14-17)31-12-11-30-19/h1,3-4,6-8,10,13-14,18H,2,5,9,11-12H2,(H,23,32)(H,24,27)