[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] 4-methoxy-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-methoxy-3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-methoxy-3-[(2S)-2-methylpiperidino]sulfonyl-benzoic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NCC=C)OC

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O[C@@H](C)C(=O)NCC=C)OC

InChI

InChI=1S/C20H28N2O6S/c1-5-11-21-19(23)15(3)28-20(24)16-9-10-17(27-4)18(13-16)29(25,26)22-12-7-6-8-14(22)2/h5,9-10,13-15H,1,6-8,11-12H2,2-4H3,(H,21,23)/t14-,15-/m0/s1