3,4-dimethyl-5-[[3-(2-oxidanylidenepiperidin-1-yl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[[3-(2-oxidanylidenepiperidin-1-yl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[3-(2-oxo-1-piperidyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[3-(2-oxo-1-piperidinyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[3-(2-oxopiperidin-1-yl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[3-(2-ketopiperidino)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)N3CCCCC3=O)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)N3CCCCC3=O)C

InChI

InChI=1S/C20H22N2O5S/c1-13-10-15(20(24)25)11-18(14(13)2)28(26,27)21-16-6-5-7-17(12-16)22-9-4-3-8-19(22)23/h5-7,10-12,21H,3-4,8-9H2,1-2H3,(H,24,25)