3-(2,5-dimethylphenyl)sulfonyl-1-octyl-pyrrolo[3,2-b]quinoxalin-2-amine

Systemtic Name: 3-(2,5-dimethylphenyl)sulfonyl-1-octyl-pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 3-(2,5-dimethylphenyl)sulfonyl-1-octyl-pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(2,5-dimethylphenyl)sulfonyl-1-octyl-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 3-(2,5-dimethylphenyl)sulfonyl-1-octylpyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [3-(2,5-dimethylphenyl)sulfonyl-1-octyl-pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O2S/c1-4-5-6-7-8-11-16-30-25(27)24(33(31,32)22-17-18(2)14-15-19(22)3)23-26(30)29-21-13-10-9-12-20(21)28-23/h9-10,12-15,17H,4-8,11,16,27H2,1-3H3