[(1R,2S)-2-[(1S)-3-benzamido-1-oxidanyl-propyl]cyclopentyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,2S)-2-[(1S)-3-benzamido-1-oxidanyl-propyl]cyclopentyl] 4-methylbenzenesulfonate Openeye Name: [(1R,2S)-2-[(1S)-3-benzamido-1-hydroxy-propyl]cyclopentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2S)-2-[(1S)-3-benzamido-1-hydroxypropyl]cyclopentyl] ester IUPAC Name: [(1R,2S)-2-[(1S)-3-benzamido-1-hydroxypropyl]cyclopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2S)-2-[(1S)-3-benzamido-1-hydroxy-propyl]cyclopentyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC2C(CCNC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CCC[C@H]2[C@H](CCNC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H27NO5S/c1-16-10-12-18(13-11-16)29(26,27)28-21-9-5-8-19(21)20(24)14-15-23-22(25)17-6-3-2-4-7-17/h2-4,6-7,10-13,19-21,24H,5,8-9,14-15H2,1H3,(H,23,25)/t19-,20-,21+/m0/s1