4-[[2-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-ethyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-ethyl]sulfamoyl]benzoic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-(1-piperidyl)ethyl]sulfamoyl]benzoic acid CAS Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-(1-piperidinyl)ethyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylethyl]sulfamoyl]benzoic acid Traditional Name: 4-[[2-(1,3-benzodioxol-5-yl)-2-piperidino-ethyl]sulfamoyl]benzoic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O6S/c24-21(25)15-4-7-17(8-5-15)30(26,27)22-13-18(23-10-2-1-3-11-23)16-6-9-19-20(12-16)29-14-28-19/h4-9,12,18,22H,1-3,10-11,13-14H2,(H,24,25)