1,3-bis[4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methyl-phenyl]urea

Systemtic Name: 1,3-bis[4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methyl-phenyl]urea Openeye Name: 1,3-bis[4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methyl-phenyl]urea CAS Name: 1,3-bis[4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylphenyl]urea IUPAC Name: 1,3-bis[4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylphenyl]urea Traditional Name: 1,3-bis[4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methyl-phenyl]urea Formula: C21H28N2O9S2 MolecularWeight: 516.58502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)CCO)OC)NC(=O)NC2=C(C=C(C(=C2)C)S(=O)(=O)CCO)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)CCO)OC)NC(=O)NC2=C(C=C(C(=C2)C)S(=O)(=O)CCO)OC

InChI

InChI=1S/C21H28N2O9S2/c1-13-9-15(17(31-3)11-19(13)33(27,28)7-5-24)22-21(26)23-16-10-14(2)20(12-18(16)32-4)34(29,30)8-6-25/h9-12,24-25H,5-8H2,1-4H3,(H2,22,23,26)