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

Systemtic Name: 4-chloranyl-N-[3-(4-methylphenyl)sulfonyl-1-octyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[1-octyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-chloro-N-[3-(4-methylphenyl)sulfonyl-1-octyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[3-(4-methylphenyl)sulfonyl-1-octylpyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-(1-octyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide Formula: C31H33ClN4O4S2 MolecularWeight: 625.20112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33ClN4O4S2/c1-3-4-5-6-7-10-21-36-30-28(33-26-11-8-9-12-27(26)34-30)29(41(37,38)24-17-13-22(2)14-18-24)31(36)35-42(39,40)25-19-15-23(32)16-20-25/h8-9,11-20,35H,3-7,10,21H2,1-2H3