(2S)-1-(3-morpholin-4-ylsulfonylphenyl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(3-morpholin-4-ylsulfonylphenyl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(3-morpholinosulfonylbenzoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(3-morpholin-4-ylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(3-morpholinosulfonylbenzoyl)proline Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C16H20N2O6S/c19-15(18-6-2-5-14(18)16(20)21)12-3-1-4-13(11-12)25(22,23)17-7-9-24-10-8-17/h1,3-4,11,14H,2,5-10H2,(H,20,21)/t14-/m0/s1