4-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-methyl-3-[[4-(4-methyl-1-piperidyl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-methyl-3-[[4-(4-methyl-1-piperidinyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-methyl-3-[[4-(4-methylpiperidino)phenyl]sulfamoyl]benzoic acid Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C20H24N2O4S/c1-14-9-11-22(12-10-14)18-7-5-17(6-8-18)21-27(25,26)19-13-16(20(23)24)4-3-15(19)2/h3-8,13-14,21H,9-12H2,1-2H3,(H,23,24)