[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C23H27ClN2O5S/c1-17(22(27)25-13-12-18-8-4-2-5-9-18)31-23(28)20-16-19(10-11-21(20)24)32(29,30)26-14-6-3-7-15-26/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3,(H,25,27)/t17-/m0/s1