[(2S)-3-[cyclopropylmethyl(trifluoromethylsulfonyl)amino]-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-[cyclopropylmethyl(trifluoromethylsulfonyl)amino]-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-3-[cyclopropylmethyl(trifluoromethylsulfonyl)amino]-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-[cyclopropylmethyl(trifluoromethylsulfonyl)amino]-2-hydroxypropyl] ester IUPAC Name: [(2S)-3-[cyclopropylmethyl(trifluoromethylsulfonyl)amino]-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-3-[cyclopropylmethyl(triflyl)amino]-2-hydroxy-propyl] ester Formula: C15H20F3NO6S2 MolecularWeight: 431.44761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN(CC2CC2)S(=O)(=O)C(F)(F)F)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CN(CC2CC2)S(=O)(=O)C(F)(F)F)O

InChI

InChI=1S/C15H20F3NO6S2/c1-11-2-6-14(7-3-11)26(21,22)25-10-13(20)9-19(8-12-4-5-12)27(23,24)15(16,17)18/h2-3,6-7,12-13,20H,4-5,8-10H2,1H3/t13-/m0/s1