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

Systemtic Name: 4-chloranyl-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]-4-chloro-benzenesulfonamide CAS Name: N-[3-(benzenesulfonyl)-1-octyl-2-pyrrolo[3,2-b]quinoxalinyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[3-(benzenesulfonyl)-1-octylpyrrolo[3,2-b]quinoxalin-2-yl]-4-chlorobenzenesulfonamide Traditional Name: N-(3-besyl-1-octyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-chloro-benzenesulfonamide Formula: C30H31ClN4O4S2 MolecularWeight: 611.17454

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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H31ClN4O4S2/c1-2-3-4-5-6-12-21-35-29-27(32-25-15-10-11-16-26(25)33-29)28(40(36,37)23-13-8-7-9-14-23)30(35)34-41(38,39)24-19-17-22(31)18-20-24/h7-11,13-20,34H,2-6,12,21H2,1H3