[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

C[C@H](C(=O)NCC=C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C18H23ClN2O5S/c1-3-9-20-17(22)13(2)26-18(23)15-12-14(7-8-16(15)19)27(24,25)21-10-5-4-6-11-21/h3,7-8,12-13H,1,4-6,9-11H2,2H3,(H,20,22)/t13-/m1/s1