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

Systemtic Name: 3-(3-methylphenyl)sulfonyl-1-octyl-pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 3-(m-tolylsulfonyl)-1-octyl-pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(3-methylphenyl)sulfonyl-1-octyl-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 3-(3-methylphenyl)sulfonyl-1-octylpyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [3-(m-tolylsulfonyl)-1-octyl-pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC(=C4)C)N

Isomeric SMILES

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC(=C4)C)N

InChI

InChI=1S/C25H30N4O2S/c1-3-4-5-6-7-10-16-29-24(26)23(32(30,31)19-13-11-12-18(2)17-19)22-25(29)28-21-15-9-8-14-20(21)27-22/h8-9,11-15,17H,3-7,10,16,26H2,1-2H3