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

Systemtic Name: 1-(3-methylbutyl)-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 1-isopentyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 1-(3-methylbutyl)-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 1-(3-methylbutyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: (1-isoamyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)amine Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-14(2)12-13-26-21(23)20(29(27,28)16-10-8-15(3)9-11-16)19-22(26)25-18-7-5-4-6-17(18)24-19/h4-11,14H,12-13,23H2,1-3H3