[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate CAS Name: (2S)-2-benzamido-4-methylsulfonylbutanoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-4-methylsulfonylbutanoate Traditional Name: (2S)-2-benzamido-4-mesyl-butyric acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H30N2O6S/c1-14(2)22(15(3)4)18(23)13-28-20(25)17(11-12-29(5,26)27)21-19(24)16-9-7-6-8-10-16/h6-10,14-15,17H,11-13H2,1-5H3,(H,21,24)/t17-/m0/s1