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

Systemtic Name: 3-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 3-[(4-methyl-3-morpholinosulfonyl-phenyl)sulfamoyl]benzoic acid CAS Name: 3-[[4-methyl-3-(4-morpholinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 3-[(4-methyl-3-morpholinosulfonyl-phenyl)sulfamoyl]benzoic acid Formula: C18H20N2O7S2 MolecularWeight: 440.4906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7S2/c1-13-5-6-15(12-17(13)29(25,26)20-7-9-27-10-8-20)19-28(23,24)16-4-2-3-14(11-16)18(21)22/h2-6,11-12,19H,7-10H2,1H3,(H,21,22)