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

Systemtic Name: 2-(cyclohexylmethylsulfanyl)-N-(1-diethoxyphosphoryl-2-phenyl-ethyl)-1,3-benzothiazole-6-sulfonamide Openeye Name: 2-(cyclohexylmethylsulfanyl)-N-(1-diethoxyphosphoryl-2-phenyl-ethyl)-1,3-benzothiazole-6-sulfonamide CAS Name: 2-(cyclohexylmethylthio)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1,3-benzothiazole-6-sulfonamide IUPAC Name: 2-(cyclohexylmethylsulfanyl)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1,3-benzothiazole-6-sulfonamide Traditional Name: 2-(cyclohexylmethylthio)-N-(1-diethoxyphosphoryl-2-phenyl-ethyl)-1,3-benzothiazole-6-sulfonamide Formula: C26H35N2O5PS3 MolecularWeight: 582.735261

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)SCC4CCCCC4)OCC

Isomeric SMILES

CCOP(=O)(C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)SCC4CCCCC4)OCC

InChI

InChI=1S/C26H35N2O5PS3/c1-3-32-34(29,33-4-2)25(17-20-11-7-5-8-12-20)28-37(30,31)22-15-16-23-24(18-22)36-26(27-23)35-19-21-13-9-6-10-14-21/h5,7-8,11-12,15-16,18,21,25,28H,3-4,6,9-10,13-14,17,19H2,1-2H3