[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N[C@@H](C)CCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5S/c1-3-28(25,26)19-12-8-7-11-18(19)21(24)27-15-20(23)22-16(2)13-14-17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,22,23)/t16-/m0/s1