4-(7-acetamidodibenzofuran-2-yl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-(7-acetamidodibenzofuran-2-yl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-(7-acetamidodibenzofuran-2-yl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[(7-acetamido-2-dibenzofuranyl)sulfonyl]-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-(7-acetamidodibenzofuran-2-yl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-(7-acetamidodibenzofuran-2-yl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6S2/c1-12(24)22-13-4-6-15-16-11-14(5-7-17(16)29-18(15)10-13)31(27,28)23-8-9-30-21(2,3)19(23)20(25)26/h4-7,10-11,19H,8-9H2,1-3H3,(H,22,24)(H,25,26)