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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-1-isobutyl-pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-1-(2-methylpropyl)-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [3-(3,4-dimethylphenyl)sulfonyl-1-isobutyl-pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-13(2)12-26-21(23)20(29(27,28)16-10-9-14(3)15(4)11-16)19-22(26)25-18-8-6-5-7-17(18)24-19/h5-11,13H,12,23H2,1-4H3