3-(1,3-benzothiazol-2-ylsulfanyl)-N-[diethoxyphosphoryl(phenyl)methyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[diethoxyphosphoryl(phenyl)methyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[diethoxyphosphoryl(phenyl)methyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[diethoxyphosphoryl(phenyl)methyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[diethoxyphosphoryl(phenyl)methyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[diethoxyphosphoryl(phenyl)methyl]propane-1-sulfonamide Formula: C21H27N2O5PS3 MolecularWeight: 514.618241

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=CC=C1)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC=CC=C1)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2)OCC

InChI

InChI=1S/C21H27N2O5PS3/c1-3-27-29(24,28-4-2)20(17-11-6-5-7-12-17)23-32(25,26)16-10-15-30-21-22-18-13-8-9-14-19(18)31-21/h5-9,11-14,20,23H,3-4,10,15-16H2,1-2H3