2-methyl-5-[[2-(piperidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid

Systemtic Name: 2-methyl-5-[[2-(piperidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid Openeye Name: 2-methyl-5-[[2-(1-piperidylmethyl)phenyl]methylsulfamoyl]benzoic acid CAS Name: 2-methyl-5-[[2-(1-piperidinylmethyl)phenyl]methylsulfamoyl]benzoic acid IUPAC Name: 2-methyl-5-[[2-(piperidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid Traditional Name: 2-methyl-5-[[2-(piperidinomethyl)benzyl]sulfamoyl]benzoic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2CN3CCCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2CN3CCCCC3)C(=O)O

InChI

InChI=1S/C21H26N2O4S/c1-16-9-10-19(13-20(16)21(24)25)28(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)