benzene; 5-(2-methyl-2-morpholin-4-yl-propanoyl)-2-phenylsulfanyl-benzenesulfonic acid

Systemtic Name: benzene; 5-(2-methyl-2-morpholin-4-yl-propanoyl)-2-phenylsulfanyl-benzenesulfonic acid Openeye Name: benzene; 5-(2-methyl-2-morpholino-propanoyl)-2-phenylsulfanyl-benzenesulfonic acid CAS Name: benzene; 5-[2-methyl-2-(4-morpholinyl)-1-oxopropyl]-2-(phenylthio)benzenesulfonic acid IUPAC Name: benzene; 5-(2-methyl-2-morpholin-4-ylpropanoyl)-2-phenylsulfanylbenzenesulfonic acid Traditional Name: benzene; 5-(2-methyl-2-morpholino-propanoyl)-2-(phenylthio)besylic acid Formula: C26H29NO5S2 MolecularWeight: 499.64216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)S(=O)(=O)O)N3CCOCC3.C1=CC=CC=C1

Isomeric SMILES

CC(C)(C(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)S(=O)(=O)O)N3CCOCC3.C1=CC=CC=C1

InChI

InChI=1S/C20H23NO5S2.C6H6/c1-20(2,21-10-12-26-13-11-21)19(22)15-8-9-17(18(14-15)28(23,24)25)27-16-6-4-3-5-7-16;1-2-4-6-5-3-1/h3-9,14H,10-13H2,1-2H3,(H,23,24,25);1-6H