(2S)-1-(3-piperidin-1-ylsulfonylphenyl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(3-piperidin-1-ylsulfonylphenyl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[3-(1-piperidylsulfonyl)benzoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(3-piperidinosulfonylbenzoyl)proline Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C17H22N2O5S/c20-16(19-11-5-8-15(19)17(21)22)13-6-4-7-14(12-13)25(23,24)18-9-2-1-3-10-18/h4,6-7,12,15H,1-3,5,8-11H2,(H,21,22)/t15-/m0/s1