[(2R)-2-[3-(diphenoxyphosphorylamino)-3-oxidanylidene-propyl]-4-oxidanylidene-azetidin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-[3-(diphenoxyphosphorylamino)-3-oxidanylidene-propyl]-4-oxidanylidene-azetidin-1-yl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-[3-(diphenoxyphosphorylamino)-3-oxo-propyl]-4-oxo-azetidin-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-[3-(diphenoxyphosphorylamino)-3-oxopropyl]-4-oxo-1-azetidinyl] ester IUPAC Name: [(2R)-2-[3-(diphenoxyphosphorylamino)-3-oxopropyl]-4-oxoazetidin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-[3-(diphenoxyphosphorylamino)-3-keto-propyl]-4-keto-azetidin-1-yl] ester Formula: C25H25N2O8PS MolecularWeight: 544.513361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(CC2=O)CCC(=O)NP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2[C@@H](CC2=O)CCC(=O)NP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H25N2O8PS/c1-19-12-15-23(16-13-19)37(31,32)35-27-20(18-25(27)29)14-17-24(28)26-36(30,33-21-8-4-2-5-9-21)34-22-10-6-3-7-11-22/h2-13,15-16,20H,14,17-18H2,1H3,(H,26,28,30)/t20-/m1/s1