[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-amino-2-oxo-1-phenyl-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [(1R)-2-amino-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-amino-2-oxo-1-phenylethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [(1R)-2-amino-2-keto-1-phenyl-ethyl] ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC(C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)O[C@H](C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H20N2O5S2/c19-17(21)16(13-5-2-1-3-6-13)25-18(22)14-8-10-20(11-9-14)27(23,24)15-7-4-12-26-15/h1-7,12,14,16H,8-11H2,(H2,19,21)/t16-/m1/s1