2,2-dimethyl-4-[7-(propanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-[7-(propanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[7-(propanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[[7-(1-oxopropylamino)-2-dibenzofuranyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[7-(propanoylamino)dibenzofuran-2-yl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-(7-propionamidodibenzofuran-2-yl)sulfonyl-thiomorpholine-3-carboxylic acid Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCSC(C4C(=O)O)(C)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCSC(C4C(=O)O)(C)C

InChI

InChI=1S/C22H24N2O6S2/c1-4-19(25)23-13-5-7-15-16-12-14(6-8-17(16)30-18(15)11-13)32(28,29)24-9-10-31-22(2,3)20(24)21(26)27/h5-8,11-12,20H,4,9-10H2,1-3H3,(H,23,25)(H,26,27)