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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-1-(phenylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 1-benzyl-3-(3,4-dimethylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-1-(phenylmethyl)-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 1-benzyl-3-(3,4-dimethylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [1-benzyl-3-(3,4-dimethylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C25H22N4O2S MolecularWeight: 442.53278

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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)CC5=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)CC5=CC=CC=C5)N)C

InChI

InChI=1S/C25H22N4O2S/c1-16-12-13-19(14-17(16)2)32(30,31)23-22-25(28-21-11-7-6-10-20(21)27-22)29(24(23)26)15-18-8-4-3-5-9-18/h3-14H,15,26H2,1-2H3