[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxylic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotic acid [(1R)-2-amino-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)N)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H24N2O7S/c1-12(17(19)21)27-18(22)13-5-7-20(8-6-13)28(23,24)14-3-4-15-16(11-14)26-10-2-9-25-15/h3-4,11-13H,2,5-10H2,1H3,(H2,19,21)/t12-/m1/s1