3-[4-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[4-(2,6-dimethylpiperidino)sulfonylphenyl]sulfamoyl]phenyl]propionic acid Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)C

InChI

InChI=1S/C22H28N2O6S2/c1-16-4-3-5-17(2)24(16)32(29,30)21-13-9-19(10-14-21)23-31(27,28)20-11-6-18(7-12-20)8-15-22(25)26/h6-7,9-14,16-17,23H,3-5,8,15H2,1-2H3,(H,25,26)