[(2S)-2-(cyclopentylcarbonylamino)-3-methyl-3-oxidanyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-(cyclopentylcarbonylamino)-3-methyl-3-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(cyclopentanecarbonylamino)-3-hydroxy-3-methyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[[cyclopentyl(oxo)methyl]amino]-3-hydroxy-3-methylbutyl] ester IUPAC Name: [(2S)-2-(cyclopentanecarbonylamino)-3-hydroxy-3-methylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-(cyclopentanecarbonylamino)-3-hydroxy-3-methyl-butyl] ester Formula: C18H22NO5S MolecularWeight: 364.43598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C)(C)O)NC(=O)[C]2[CH][CH][CH][CH]2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C(C)(C)O)NC(=O)[C]2[CH][CH][CH][CH]2

InChI

InChI=1S/C18H22NO5S/c1-13-8-10-15(11-9-13)25(22,23)24-12-16(18(2,3)21)19-17(20)14-6-4-5-7-14/h4-11,16,21H,12H2,1-3H3,(H,19,20)/t16-/m0/s1