1-[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]methyl]indole-3-carboxylic acid

Systemtic Name: 1-[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]methyl]indole-3-carboxylic acid Openeye Name: 1-[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]methyl]indole-3-carboxylic acid CAS Name: 1-[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]methyl]-3-indolecarboxylic acid IUPAC Name: 1-[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]methyl]indole-3-carboxylic acid Traditional Name: 1-[4-[(4-tert-butylphenyl)sulfonylamino]benzyl]indole-3-carboxylic acid Formula: C26H26N2O4S MolecularWeight: 462.56064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CN3C=C(C4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CN3C=C(C4=CC=CC=C43)C(=O)O

InChI

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