1-[(3,5-dimethoxyphenyl)methyl]-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine

Systemtic Name: 1-[(3,5-dimethoxyphenyl)methyl]-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 3-(benzenesulfonyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(benzenesulfonyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 3-(benzenesulfonyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [3-besyl-1-(3,5-dimethoxybenzyl)pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N)OC

InChI

InChI=1S/C25H22N4O4S/c1-32-17-12-16(13-18(14-17)33-2)15-29-24(26)23(34(30,31)19-8-4-3-5-9-19)22-25(29)28-21-11-7-6-10-20(21)27-22/h3-14H,15,26H2,1-2H3