3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid

Systemtic Name: 3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid Openeye Name: 3-[[3-(1-piperidylsulfonyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[3-(1-piperidinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 3-[(3-piperidinosulfonylphenyl)sulfamoyl]benzoic acid Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S2/c21-18(22)14-6-4-8-16(12-14)27(23,24)19-15-7-5-9-17(13-15)28(25,26)20-10-2-1-3-11-20/h4-9,12-13,19H,1-3,10-11H2,(H,21,22)