4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-piperidine-3-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-piperidine-3-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-piperidine-3-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-1-methylsulfonyl-3-piperidinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonylpiperidine-3-carboxylic acid Traditional Name: 1-mesyl-4-(p-anisylthio)nipecotic acid Formula: C15H21NO5S2 MolecularWeight: 359.46094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CCN(CC2C(=O)O)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CCN(CC2C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C15H21NO5S2/c1-21-12-5-3-11(4-6-12)10-22-14-7-8-16(23(2,19)20)9-13(14)15(17)18/h3-6,13-14H,7-10H2,1-2H3,(H,17,18)