4-[4-chloranyl-5-(4-ethoxyphenyl)imidazol-1-yl]-N-diethoxyphosphoryl-benzenesulfonamide

Systemtic Name: 4-[4-chloranyl-5-(4-ethoxyphenyl)imidazol-1-yl]-N-diethoxyphosphoryl-benzenesulfonamide Openeye Name: 4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]-N-diethoxyphosphoryl-benzenesulfonamide CAS Name: 4-[4-chloro-5-(4-ethoxyphenyl)-1-imidazolyl]-N-diethoxyphosphorylbenzenesulfonamide IUPAC Name: 4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]-N-diethoxyphosphorylbenzenesulfonamide Traditional Name: 4-(4-chloro-5-p-phenetyl-imidazol-1-yl)-N-diethoxyphosphoryl-benzenesulfonamide Formula: C21H25ClN3O6PS MolecularWeight: 513.931461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)NP(=O)(OCC)OCC)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)NP(=O)(OCC)OCC)Cl

InChI

InChI=1S/C21H25ClN3O6PS/c1-4-29-18-11-7-16(8-12-18)20-21(22)23-15-25(20)17-9-13-19(14-10-17)33(27,28)24-32(26,30-5-2)31-6-3/h7-15H,4-6H2,1-3H3,(H,24,26)