N-[1-octyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: N-[1-octyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-(benzenesulfonyl)-1-octyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-(benzenesulfonyl)-1-octyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-(benzenesulfonyl)-1-octylpyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-(3-besyl-1-octyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide Formula: C30H32N4O4S2 MolecularWeight: 576.72948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H32N4O4S2/c1-2-3-4-5-6-15-22-34-29-27(31-25-20-13-14-21-26(25)32-29)28(39(35,36)23-16-9-7-10-17-23)30(34)33-40(37,38)24-18-11-8-12-19-24/h7-14,16-21,33H,2-6,15,22H2,1H3