S-[4-[3-azanyl-3-(phosphonooxymethyl)pentyl]phenyl] 4-cyclohexylbutanethioate

Systemtic Name: S-[4-[3-azanyl-3-(phosphonooxymethyl)pentyl]phenyl] 4-cyclohexylbutanethioate Openeye Name: S-[4-[3-amino-3-(phosphonooxymethyl)pentyl]phenyl] 4-cyclohexylbutanethioate CAS Name: 4-cyclohexylbutanethioic acid S-[4-[3-amino-3-(phosphonooxymethyl)pentyl]phenyl] ester IUPAC Name: S-[4-[3-amino-3-(phosphonooxymethyl)pentyl]phenyl] 4-cyclohexylbutanethioate Traditional Name: 4-cyclohexylbutanethioic acid S-[4-[3-amino-3-(phosphonooxymethyl)pentyl]phenyl] ester Formula: C22H36NO5PS MolecularWeight: 457.563701

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=C(C=C1)SC(=O)CCCC2CCCCC2)(COP(=O)(O)O)N

Isomeric SMILES

CCC(CCC1=CC=C(C=C1)SC(=O)CCCC2CCCCC2)(COP(=O)(O)O)N

InChI

InChI=1S/C22H36NO5PS/c1-2-22(23,17-28-29(25,26)27)16-15-19-11-13-20(14-12-19)30-21(24)10-6-9-18-7-4-3-5-8-18/h11-14,18H,2-10,15-17,23H2,1H3,(H2,25,26,27)