3-[4-[(2-methyl-5-methylsulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-methyl-5-methylsulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2-methyl-5-methylsulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(2-methyl-5-methylsulfonylphenyl)sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-methyl-5-methylsulfonylphenyl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(5-mesyl-2-methyl-phenyl)sulfamoyl]phenyl]propionic acid Formula: C17H19NO6S2 MolecularWeight: 397.46586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6S2/c1-12-3-7-15(25(2,21)22)11-16(12)18-26(23,24)14-8-4-13(5-9-14)6-10-17(19)20/h3-5,7-9,11,18H,6,10H2,1-2H3,(H,19,20)