[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)N3CCCC3

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)O[C@@H](C)C(=O)N3CCCC3

InChI

InChI=1S/C20H28N2O5S/c1-15-8-3-4-13-22(15)28(25,26)18-10-7-9-17(14-18)20(24)27-16(2)19(23)21-11-5-6-12-21/h7,9-10,14-16H,3-6,8,11-13H2,1-2H3/t15-,16-/m0/s1