4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-piperidine-3-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-piperidine-3-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-(2-naphthylsulfonyl)piperidine-3-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-1-(2-naphthalenylsulfonyl)-3-piperidinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid Traditional Name: 1-(2-naphthylsulfonyl)-4-(p-anisylthio)nipecotic acid Formula: C24H25NO5S2 MolecularWeight: 471.589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CCN(CC2C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CCN(CC2C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H25NO5S2/c1-30-20-9-6-17(7-10-20)16-31-23-12-13-25(15-22(23)24(26)27)32(28,29)21-11-8-18-4-2-3-5-19(18)14-21/h2-11,14,22-23H,12-13,15-16H2,1H3,(H,26,27)