1-(4-butylphenyl)-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine

Systemtic Name: 1-(4-butylphenyl)-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 1-(4-butylphenyl)-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 1-(4-butylphenyl)-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [1-(4-butylphenyl)-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C27H26N4O2S MolecularWeight: 470.58594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=C(C=C5)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=C(C=C5)C)N

InChI

InChI=1S/C27H26N4O2S/c1-3-4-7-19-12-14-20(15-13-19)31-26(28)25(34(32,33)21-16-10-18(2)11-17-21)24-27(31)30-23-9-6-5-8-22(23)29-24/h5-6,8-17H,3-4,7,28H2,1-2H3