3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]propanoic acid

Systemtic Name: 3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]propanoic acid Openeye Name: 3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-(2-naphthylsulfonyl)pyrrolidin-2-yl]propanoic acid CAS Name: 3-[4-[(4-methoxyphenyl)methylthio]-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]propanoic acid IUPAC Name: 3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]propanoic acid Traditional Name: 3-[1-(2-naphthylsulfonyl)-4-(p-anisylthio)pyrrolidin-2-yl]propionic acid Formula: C25H27NO5S2 MolecularWeight: 485.61558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CCC(=O)O

InChI

InChI=1S/C25H27NO5S2/c1-31-22-10-6-18(7-11-22)17-32-23-15-21(9-13-25(27)28)26(16-23)33(29,30)24-12-8-19-4-2-3-5-20(19)14-24/h2-8,10-12,14,21,23H,9,13,15-17H2,1H3,(H,27,28)