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

Systemtic Name: 1-(3-methylbutyl)-3-(3-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 1-isopentyl-3-(m-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 1-(3-methylbutyl)-3-(3-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 1-(3-methylbutyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [1-isoamyl-3-(m-tolylsulfonyl)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(=CC=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC(C)C)N

Isomeric SMILES

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

InChI

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