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

Systemtic Name: 3-[4-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[4-chloro-3-(1-piperidylsulfonyl)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-chloro-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(4-chloro-3-piperidinosulfonyl-phenyl)sulfamoyl]phenyl]propionic acid Formula: C20H23ClN2O6S2 MolecularWeight: 486.98942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)Cl

InChI

InChI=1S/C20H23ClN2O6S2/c21-18-10-7-16(14-19(18)31(28,29)23-12-2-1-3-13-23)22-30(26,27)17-8-4-15(5-9-17)6-11-20(24)25/h4-5,7-10,14,22H,1-3,6,11-13H2,(H,24,25)