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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-1-(3-phenylpropyl)-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [3-(3,4-dimethylphenyl)sulfonyl-1-(3-phenylpropyl)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O2S/c1-18-14-15-21(17-19(18)2)34(32,33)25-24-27(30-23-13-7-6-12-22(23)29-24)31(26(25)28)16-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-15,17H,8,11,16,28H2,1-2H3