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

Systemtic Name: 4-(7-methoxycarbonyldibenzofuran-2-yl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-(7-methoxycarbonyldibenzofuran-2-yl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[(7-methoxycarbonyl-2-dibenzofuranyl)sulfonyl]-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-(7-methoxycarbonyldibenzofuran-2-yl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-(7-carbomethoxydibenzofuran-2-yl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C21H21NO7S2 MolecularWeight: 463.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)C(=O)OC)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)C(=O)OC)C(=O)O)C

InChI

InChI=1S/C21H21NO7S2/c1-21(2)18(19(23)24)22(8-9-30-21)31(26,27)13-5-7-16-15(11-13)14-6-4-12(20(25)28-3)10-17(14)29-16/h4-7,10-11,18H,8-9H2,1-3H3,(H,23,24)