[2-oxidanylidene-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-keto-2-[[(1S)-1-phenylbutyl]amino]ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)CC

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)CC

InChI

InChI=1S/C21H25NO5S/c1-3-10-18(16-11-6-5-7-12-16)22-20(23)15-27-21(24)17-13-8-9-14-19(17)28(25,26)4-2/h5-9,11-14,18H,3-4,10,15H2,1-2H3,(H,22,23)/t18-/m0/s1