5-[[6-[(4-tert-butylphenyl)methylsulfanyl]pyridin-3-yl]sulfamoyl]-2-methyl-benzoic acid

Systemtic Name: 5-[[6-[(4-tert-butylphenyl)methylsulfanyl]pyridin-3-yl]sulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[[6-[(4-tert-butylphenyl)methylsulfanyl]-3-pyridyl]sulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[[6-[(4-tert-butylphenyl)methylthio]-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[[6-[(4-tert-butylphenyl)methylsulfanyl]pyridin-3-yl]sulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[[6-[(4-tert-butylbenzyl)thio]-3-pyridyl]sulfamoyl]-2-methyl-benzoic acid Formula: C24H26N2O4S2 MolecularWeight: 470.60424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CN=C(C=C2)SCC3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CN=C(C=C2)SCC3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C24H26N2O4S2/c1-16-5-11-20(13-21(16)23(27)28)32(29,30)26-19-10-12-22(25-14-19)31-15-17-6-8-18(9-7-17)24(2,3)4/h5-14,26H,15H2,1-4H3,(H,27,28)