[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6S/c1-12(16(20)18-14-4-5-14)25-17(21)13-2-6-15(7-3-13)26(22,23)19-8-10-24-11-9-19/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H,18,20)/t12-/m1/s1