[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C16H21ClN2O6S MolecularWeight: 404.86574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O6S/c1-3-11(2)18-16(22)19-14(20)10-25-15(21)8-9-26(23,24)13-6-4-12(17)5-7-13/h4-7,11H,3,8-10H2,1-2H3,(H2,18,19,20,22)/t11-/m0/s1