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

Systemtic Name: 3-[4-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[4-methyl-3-(1-piperidylsulfonyl)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(4-methyl-3-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)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)N3CCCCC3

InChI

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