butyl 4-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate

Systemtic Name: butyl 4-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate Openeye Name: butyl 4-[[3-(p-tolylsulfonylamino)quinoxalin-2-yl]amino]benzoate CAS Name: 4-[[3-[(4-methylphenyl)sulfonylamino]-2-quinoxalinyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate Traditional Name: 4-[[3-(tosylamino)quinoxalin-2-yl]amino]benzoic acid butyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H26N4O4S/c1-3-4-17-34-26(31)19-11-13-20(14-12-19)27-24-25(29-23-8-6-5-7-22(23)28-24)30-35(32,33)21-15-9-18(2)10-16-21/h5-16H,3-4,17H2,1-2H3,(H,27,28)(H,29,30)