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

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21ClN2O6S MolecularWeight: 416.87644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C17H21ClN2O6S/c1-11(16(21)19-12-2-3-12)26-17(22)14-10-13(4-5-15(14)18)27(23,24)20-6-8-25-9-7-20/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,21)/t11-/m1/s1