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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-morpholinosulfonyl-benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O7S/c1-4-7-19-17(21)13(2)27-18(22)15-12-14(5-6-16(15)25-3)28(23,24)20-8-10-26-11-9-20/h5-6,12-13H,4,7-11H2,1-3H3,(H,19,21)/t13-/m0/s1