4-chloranyl-N-[1-(3-methylbutyl)-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[1-(3-methylbutyl)-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[1-isopentyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-chloro-N-[1-(3-methylbutyl)-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[1-(3-methylbutyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-(1-isoamyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide Formula: C28H27ClN4O4S2 MolecularWeight: 583.12138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN4O4S2/c1-18(2)16-17-33-27-25(30-23-6-4-5-7-24(23)31-27)26(38(34,35)21-12-8-19(3)9-13-21)28(33)32-39(36,37)22-14-10-20(29)11-15-22/h4-15,18,32H,16-17H2,1-3H3