(2S)-1-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[4-methyl-3-(1-piperidylsulfonyl)benzoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(4-methyl-3-piperidinosulfonyl-benzoyl)proline Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC2C(=O)O)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2C(=O)O)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H24N2O5S/c1-13-7-8-14(17(21)20-11-5-6-15(20)18(22)23)12-16(13)26(24,25)19-9-3-2-4-10-19/h7-8,12,15H,2-6,9-11H2,1H3,(H,22,23)/t15-/m0/s1