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

Systemtic Name: 5-[[6-[(4-tert-butylphenyl)methylsulfanyl]pyridin-3-yl]sulfamoyl]-2,3-dimethyl-benzoic acid Openeye Name: 5-[[6-[(4-tert-butylphenyl)methylsulfanyl]-3-pyridyl]sulfamoyl]-2,3-dimethyl-benzoic acid CAS Name: 5-[[6-[(4-tert-butylphenyl)methylthio]-3-pyridinyl]sulfamoyl]-2,3-dimethylbenzoic acid IUPAC Name: 5-[[6-[(4-tert-butylphenyl)methylsulfanyl]pyridin-3-yl]sulfamoyl]-2,3-dimethylbenzoic acid Traditional Name: 5-[[6-[(4-tert-butylbenzyl)thio]-3-pyridyl]sulfamoyl]-2,3-dimethyl-benzoic acid Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4S2/c1-16-12-21(13-22(17(16)2)24(28)29)33(30,31)27-20-10-11-23(26-14-20)32-15-18-6-8-19(9-7-18)25(3,4)5/h6-14,27H,15H2,1-5H3,(H,28,29)