3,4-dimethyl-5-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[(4-methyl-3-morpholinosulfonyl-phenyl)sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[4-methyl-3-(4-morpholinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[(4-methyl-3-morpholinosulfonyl-phenyl)sulfamoyl]benzoic acid Formula: C20H24N2O7S2 MolecularWeight: 468.54376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H24N2O7S2/c1-13-4-5-17(12-18(13)31(27,28)22-6-8-29-9-7-22)21-30(25,26)19-11-16(20(23)24)10-14(2)15(19)3/h4-5,10-12,21H,6-9H2,1-3H3,(H,23,24)