3-[4-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[2-methyl-5-(1-piperidylsulfonyl)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2-methyl-5-piperidinosulfonyl-phenyl)sulfamoyl]phenyl]propionic acid Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C21H26N2O6S2/c1-16-5-9-19(31(28,29)23-13-3-2-4-14-23)15-20(16)22-30(26,27)18-10-6-17(7-11-18)8-12-21(24)25/h5-7,9-11,15,22H,2-4,8,12-14H2,1H3,(H,24,25)