[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butyric acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O7S MolecularWeight: 412.45736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H24N2O7S/c1-12(18(22)20-13-4-5-13)27-17(21)3-2-8-19-28(23,24)14-6-7-15-16(11-14)26-10-9-25-15/h6-7,11-13,19H,2-5,8-10H2,1H3,(H,20,22)/t12-/m1/s1