[1-[[2-(cyclohexylmethylsulfanyl)-1,3-benzothiazol-6-yl]sulfonylamino]-2-phenyl-ethyl]phosphonic acid

Systemtic Name: [1-[[2-(cyclohexylmethylsulfanyl)-1,3-benzothiazol-6-yl]sulfonylamino]-2-phenyl-ethyl]phosphonic acid Openeye Name: [1-[[2-(cyclohexylmethylsulfanyl)-1,3-benzothiazol-6-yl]sulfonylamino]-2-phenyl-ethyl]phosphonic acid CAS Name: [1-[[2-(cyclohexylmethylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-2-phenylethyl]phosphonic acid IUPAC Name: [1-[[2-(cyclohexylmethylsulfanyl)-1,3-benzothiazol-6-yl]sulfonylamino]-2-phenylethyl]phosphonic acid Traditional Name: [1-[[2-(cyclohexylmethylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-2-phenyl-ethyl]phosphonic acid Formula: C22H27N2O5PS3 MolecularWeight: 526.628941

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)NC(CC4=CC=CC=C4)P(=O)(O)O

Isomeric SMILES

C1CCC(CC1)CSC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)NC(CC4=CC=CC=C4)P(=O)(O)O

InChI

InChI=1S/C22H27N2O5PS3/c25-30(26,27)21(13-16-7-3-1-4-8-16)24-33(28,29)18-11-12-19-20(14-18)32-22(23-19)31-15-17-9-5-2-6-10-17/h1,3-4,7-8,11-12,14,17,21,24H,2,5-6,9-10,13,15H2,(H2,25,26,27)