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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-1-phenethyl-pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-1-phenethyl-pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-1-phenethyl-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-1-phenethylpyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [3-(3,4-dimethylphenyl)sulfonyl-1-phenethyl-pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5)N)C

InChI

InChI=1S/C26H24N4O2S/c1-17-12-13-20(16-18(17)2)33(31,32)24-23-26(29-22-11-7-6-10-21(22)28-23)30(25(24)27)15-14-19-8-4-3-5-9-19/h3-13,16H,14-15,27H2,1-2H3