1-octyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine

Systemtic Name: 1-octyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 3-(benzenesulfonyl)-1-octyl-pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(benzenesulfonyl)-1-octyl-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 3-(benzenesulfonyl)-1-octylpyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: (3-besyl-1-octyl-pyrrolo[3,2-b]quinoxalin-2-yl)amine Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)N

Isomeric SMILES

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C24H28N4O2S/c1-2-3-4-5-6-12-17-28-23(25)22(31(29,30)18-13-8-7-9-14-18)21-24(28)27-20-16-11-10-15-19(20)26-21/h7-11,13-16H,2-6,12,17,25H2,1H3