4-bromanyl-N-[1-diethoxyphosphoryl-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-naphthalen-1-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[1-diethoxyphosphoryl-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-naphthalen-1-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[1-diethoxyphosphoryl-4-oxo-3-(p-tolylsulfonyl)-1-naphthyl]benzenesulfonamide CAS Name: 4-bromo-N-[1-diethoxyphosphoryl-3-(4-methylphenyl)sulfonyl-4-oxo-1-naphthalenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[1-diethoxyphosphoryl-3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-yl]benzenesulfonamide Traditional Name: 4-bromo-N-(1-diethoxyphosphoryl-4-keto-3-tosyl-1-naphthyl)benzenesulfonamide Formula: C27H27BrNO8PS2 MolecularWeight: 668.512941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(C=C(C(=O)C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)NS(=O)(=O)C4=CC=C(C=C4)Br)OCC

Isomeric SMILES

CCOP(=O)(C1(C=C(C(=O)C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)NS(=O)(=O)C4=CC=C(C=C4)Br)OCC

InChI

InChI=1S/C27H27BrNO8PS2/c1-4-36-38(31,37-5-2)27(29-40(34,35)22-16-12-20(28)13-17-22)18-25(26(30)23-8-6-7-9-24(23)27)39(32,33)21-14-10-19(3)11-15-21/h6-18,29H,4-5H2,1-3H3