[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC(C)C(=O)NC3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)O[C@H](C)C(=O)NC3CC3

InChI

InChI=1S/C18H24N2O6S/c1-12-3-6-15(27(23,24)20-7-9-25-10-8-20)11-16(12)18(22)26-13(2)17(21)19-14-4-5-14/h3,6,11,13-14H,4-5,7-10H2,1-2H3,(H,19,21)/t13-/m1/s1