3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)propanoic acid

Systemtic Name: 3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)propanoic acid Openeye Name: 3-[4-methyl-3-(1-piperidylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanoic acid Traditional Name: 3-(4-methyl-3-piperidinosulfonyl-phenyl)propionic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)O)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)O)S(=O)(=O)N2CCCCC2

InChI

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