N-(1-diethoxyphosphoryl-2-phenyl-ethyl)-2-hexylsulfanyl-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-(1-diethoxyphosphoryl-2-phenyl-ethyl)-2-hexylsulfanyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-(1-diethoxyphosphoryl-2-phenyl-ethyl)-2-hexylsulfanyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-(1-diethoxyphosphoryl-2-phenylethyl)-2-(hexylthio)-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-(1-diethoxyphosphoryl-2-phenylethyl)-2-hexylsulfanyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-(1-diethoxyphosphoryl-2-phenyl-ethyl)-2-(hexylthio)-1,3-benzothiazole-6-sulfonamide Formula: C25H35N2O5PS3 MolecularWeight: 570.724561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC3=CC=CC=C3)P(=O)(OCC)OCC

Isomeric SMILES

CCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC3=CC=CC=C3)P(=O)(OCC)OCC

InChI

InChI=1S/C25H35N2O5PS3/c1-4-7-8-12-17-34-25-26-22-16-15-21(19-23(22)35-25)36(29,30)27-24(18-20-13-10-9-11-14-20)33(28,31-5-2)32-6-3/h9-11,13-16,19,24,27H,4-8,12,17-18H2,1-3H3