(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(4-isopropylphenyl)sulfonylpiperidine-3-carboxylic acid CAS Name: (3S)-1-(4-propan-2-ylphenyl)sulfonyl-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxylic acid Traditional Name: (3S)-1-p-cumenylsulfonylnipecotic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-11(2)12-5-7-14(8-6-12)21(19,20)16-9-3-4-13(10-16)15(17)18/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1