3,4-dimethyl-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[2-(1-pyrrolidinylmethyl)phenyl]methylsulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[2-(pyrrolidinomethyl)benzyl]sulfamoyl]benzoic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCC2=CC=CC=C2CN3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCC2=CC=CC=C2CN3CCCC3)C

InChI

InChI=1S/C21H26N2O4S/c1-15-11-19(21(24)25)12-20(16(15)2)28(26,27)22-13-17-7-3-4-8-18(17)14-23-9-5-6-10-23/h3-4,7-8,11-12,22H,5-6,9-10,13-14H2,1-2H3,(H,24,25)