[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O5S/c1-3-19-16(21)12(2)25-17(22)13-7-8-14(18)15(11-13)26(23,24)20-9-5-4-6-10-20/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,21)/t12-/m0/s1