4-methyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid

Systemtic Name: 4-methyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid Openeye Name: 4-methyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid CAS Name: 4-methyl-3-[[2-(1-pyrrolidinylmethyl)phenyl]methylsulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoic acid Traditional Name: 4-methyl-3-[[2-(pyrrolidinomethyl)benzyl]sulfamoyl]benzoic acid Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-15-8-9-16(20(23)24)12-19(15)27(25,26)21-13-17-6-2-3-7-18(17)14-22-10-4-5-11-22/h2-3,6-9,12,21H,4-5,10-11,13-14H2,1H3,(H,23,24)