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

Systemtic Name: 2,2-dimethyl-4-[7-(tridecanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[7-(tridecanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[[7-(1-oxotridecylamino)-2-dibenzofuranyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[7-(tridecanoylamino)dibenzofuran-2-yl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[7-(tridecanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C32H44N2O6S2 MolecularWeight: 616.83156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44N2O6S2/c1-4-5-6-7-8-9-10-11-12-13-14-29(35)33-23-15-17-25-26-22-24(16-18-27(26)40-28(25)21-23)42(38,39)34-19-20-41-32(2,3)30(34)31(36)37/h15-18,21-22,30H,4-14,19-20H2,1-3H3,(H,33,35)(H,36,37)