4-[[2-(4-tert-butylphenyl)-1-thiophen-2-yl-ethyl]sulfamoyl]benzenesulfonic acid

Systemtic Name: 4-[[2-(4-tert-butylphenyl)-1-thiophen-2-yl-ethyl]sulfamoyl]benzenesulfonic acid Openeye Name: 4-[[2-(4-tert-butylphenyl)-1-(2-thienyl)ethyl]sulfamoyl]benzenesulfonic acid CAS Name: 4-[[2-(4-tert-butylphenyl)-1-thiophen-2-ylethyl]sulfamoyl]benzenesulfonic acid IUPAC Name: 4-[[2-(4-tert-butylphenyl)-1-thiophen-2-ylethyl]sulfamoyl]benzenesulfonic acid Traditional Name: 4-[[2-(4-tert-butylphenyl)-1-(2-thienyl)ethyl]sulfamoyl]besylic acid Formula: C22H25NO5S3 MolecularWeight: 479.6326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(C2=CC=CS2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC(C2=CC=CS2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C22H25NO5S3/c1-22(2,3)17-8-6-16(7-9-17)15-20(21-5-4-14-29-21)23-30(24,25)18-10-12-19(13-11-18)31(26,27)28/h4-14,20,23H,15H2,1-3H3,(H,26,27,28)