(2S)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(1-tosylisonipecotoyl)proline Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C18H24N2O5S/c1-13-4-6-15(7-5-13)26(24,25)19-11-8-14(9-12-19)17(21)20-10-2-3-16(20)18(22)23/h4-7,14,16H,2-3,8-12H2,1H3,(H,22,23)/t16-/m0/s1