ethyl 1-[(2S)-2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyloxypropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyloxypropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-(4-pyrrolidin-1-ylsulfonylbenzoyl)oxypropanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-1-oxo-2-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methoxy]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(4-pyrrolidin-1-ylsulfonylbenzoyl)oxypropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(4-pyrrolidinosulfonylbenzoyl)oxypropanoyl]isonipecotic acid ethyl ester Formula: C22H30N2O7S MolecularWeight: 466.5478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H30N2O7S/c1-3-30-21(26)18-10-14-23(15-11-18)20(25)16(2)31-22(27)17-6-8-19(9-7-17)32(28,29)24-12-4-5-13-24/h6-9,16,18H,3-5,10-15H2,1-2H3/t16-/m0/s1