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

Systemtic Name: 3-(3-methylphenyl)sulfonyl-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 3-(m-tolylsulfonyl)-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(3-methylphenyl)sulfonyl-1-(1-phenylethyl)-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 3-(3-methylphenyl)sulfonyl-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [3-(m-tolylsulfonyl)-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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