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

Systemtic Name: [1-[(2-butylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-2-phenyl-ethyl]phosphonic acid Openeye Name: [1-[(2-butylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-2-phenyl-ethyl]phosphonic acid CAS Name: [1-[[2-(butylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-2-phenylethyl]phosphonic acid IUPAC Name: [1-[(2-butylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-2-phenylethyl]phosphonic acid Traditional Name: [1-[[2-(butylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-2-phenyl-ethyl]phosphonic acid Formula: C19H23N2O5PS3 MolecularWeight: 486.565081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC3=CC=CC=C3)P(=O)(O)O

Isomeric SMILES

CCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC3=CC=CC=C3)P(=O)(O)O

InChI

InChI=1S/C19H23N2O5PS3/c1-2-3-11-28-19-20-16-10-9-15(13-17(16)29-19)30(25,26)21-18(27(22,23)24)12-14-7-5-4-6-8-14/h4-10,13,18,21H,2-3,11-12H2,1H3,(H2,22,23,24)