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

Systemtic Name: 1-(4-butylphenyl)-3-(3,4-dimethylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 1-(4-butylphenyl)-3-(3,4-dimethylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 1-(4-butylphenyl)-3-(3,4-dimethylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 1-(4-butylphenyl)-3-(3,4-dimethylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [1-(4-butylphenyl)-3-(3,4-dimethylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC(=C(C=C5)C)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC(=C(C=C5)C)C)N

InChI

InChI=1S/C28H28N4O2S/c1-4-5-8-20-12-14-21(15-13-20)32-27(29)26(35(33,34)22-16-11-18(2)19(3)17-22)25-28(32)31-24-10-7-6-9-23(24)30-25/h6-7,9-17H,4-5,8,29H2,1-3H3