[(2S)-4-[ethyl(phenylmethoxycarbonyl)amino]-2-oxidanyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-4-[ethyl(phenylmethoxycarbonyl)amino]-2-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-4-[benzyloxycarbonyl(ethyl)amino]-2-hydroxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-4-[ethyl(phenylmethoxycarbonyl)amino]-2-hydroxybutyl] ester IUPAC Name: [(2S)-4-[ethyl(phenylmethoxycarbonyl)amino]-2-hydroxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-4-[carbobenzoxy(ethyl)amino]-2-hydroxy-butyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(COS(=O)(=O)C1=CC=C(C=C1)C)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCN(CC[C@@H](COS(=O)(=O)C1=CC=C(C=C1)C)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO6S/c1-3-22(21(24)27-15-18-7-5-4-6-8-18)14-13-19(23)16-28-29(25,26)20-11-9-17(2)10-12-20/h4-12,19,23H,3,13-16H2,1-2H3/t19-/m0/s1