3-[naphthalen-2-ylsulfonyl-[(4-sulfanylpyrrolidin-2-yl)methoxy]methyl]benzoic acid

Systemtic Name: 3-[naphthalen-2-ylsulfonyl-[(4-sulfanylpyrrolidin-2-yl)methoxy]methyl]benzoic acid Openeye Name: 3-[2-naphthylsulfonyl-[(4-sulfanylpyrrolidin-2-yl)methoxy]methyl]benzoic acid CAS Name: 3-[(4-mercapto-2-pyrrolidinyl)methoxy-(2-naphthalenylsulfonyl)methyl]benzoic acid IUPAC Name: 3-[naphthalen-2-ylsulfonyl-[(4-sulfanylpyrrolidin-2-yl)methoxy]methyl]benzoic acid Traditional Name: 3-[(4-mercaptopyrrolidin-2-yl)methoxy-(2-naphthylsulfonyl)methyl]benzoic acid Formula: C23H23NO5S2 MolecularWeight: 457.56242

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1COC(C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CNC1COC(C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C23H23NO5S2/c25-22(26)17-6-3-7-18(10-17)23(29-14-19-12-20(30)13-24-19)31(27,28)21-9-8-15-4-1-2-5-16(15)11-21/h1-11,19-20,23-24,30H,12-14H2,(H,25,26)