[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-morpholinosulfonyl-benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC

InChI

InChI=1S/C17H24N2O7S/c1-4-18-16(20)12(2)26-17(21)14-11-13(5-6-15(14)24-3)27(22,23)19-7-9-25-10-8-19/h5-6,11-12H,4,7-10H2,1-3H3,(H,18,20)/t12-/m0/s1