5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-benzothiophene-2-carboxylic acid CAS Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-benzothiophene-2-carboxylic acid Formula: C25H23NO4S2 MolecularWeight: 465.58442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)SC(=C3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)SC(=C3C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H23NO4S2/c1-25(2,3)17-9-12-19(13-10-17)32(29,30)26-18-11-14-21-20(15-18)22(23(31-21)24(27)28)16-7-5-4-6-8-16/h4-15,26H,1-3H3,(H,27,28)