[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C16H22ClNO5S MolecularWeight: 375.86758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClNO5S/c1-3-4-12(2)18-15(19)11-23-16(20)9-10-24(21,22)14-7-5-13(17)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19)/t12-/m0/s1