1-[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]methyl]indole-5-carboxylic acid

Systemtic Name: 1-[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]methyl]indole-5-carboxylic acid Openeye Name: 1-[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]methyl]indole-5-carboxylic acid CAS Name: 1-[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]methyl]-5-indolecarboxylic acid IUPAC Name: 1-[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]methyl]indole-5-carboxylic acid Traditional Name: 1-[4-[(4-tert-butylphenyl)sulfonylamino]benzyl]indole-5-carboxylic acid Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CN3C=CC4=C3C=CC(=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CN3C=CC4=C3C=CC(=C4)C(=O)O

InChI

InChI=1S/C26H26N2O4S/c1-26(2,3)21-7-11-23(12-8-21)33(31,32)27-22-9-4-18(5-10-22)17-28-15-14-19-16-20(25(29)30)6-13-24(19)28/h4-16,27H,17H2,1-3H3,(H,29,30)