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

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 1-(3-phenylpropyl)-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(4-methylphenyl)sulfonyl-1-(3-phenylpropyl)-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 3-(4-methylphenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [1-(3-phenylpropyl)-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C26H24N4O2S MolecularWeight: 456.55936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCCC5=CC=CC=C5)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCCC5=CC=CC=C5)N

InChI

InChI=1S/C26H24N4O2S/c1-18-13-15-20(16-14-18)33(31,32)24-23-26(29-22-12-6-5-11-21(22)28-23)30(25(24)27)17-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-16H,7,10,17,27H2,1H3