4-methoxy-3-[[2-(piperidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid

Systemtic Name: 4-methoxy-3-[[2-(piperidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid Openeye Name: 4-methoxy-3-[[2-(1-piperidylmethyl)phenyl]methylsulfamoyl]benzoic acid CAS Name: 4-methoxy-3-[[2-(1-piperidinylmethyl)phenyl]methylsulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[[2-(piperidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid Traditional Name: 4-methoxy-3-[[2-(piperidinomethyl)benzyl]sulfamoyl]benzoic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCC2=CC=CC=C2CN3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCC2=CC=CC=C2CN3CCCCC3

InChI

InChI=1S/C21H26N2O5S/c1-28-19-10-9-16(21(24)25)13-20(19)29(26,27)22-14-17-7-3-4-8-18(17)15-23-11-5-2-6-12-23/h3-4,7-10,13,22H,2,5-6,11-12,14-15H2,1H3,(H,24,25)