[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 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] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H26N2O5S MolecularWeight: 394.48514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5S/c1-4-11-20-18(22)15(3)26-19(23)16-9-7-10-17(13-16)27(24,25)21-12-6-5-8-14(21)2/h4,7,9-10,13-15H,1,5-6,8,11-12H2,2-3H3,(H,20,22)/t14-,15-/m0/s1