[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl] ester IUPAC Name: [(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO5S/c1-16(2)13-19(22-21(23)26-14-18-7-5-4-6-8-18)15-27-28(24,25)20-11-9-17(3)10-12-20/h4-12,16,19H,13-15H2,1-3H3,(H,22,23)/t19-/m0/s1