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

Systemtic Name: 3-[naphthalen-2-ylsulfonyl-[(4-oxidanylpyrrolidin-2-yl)methoxy]methyl]benzoic acid Openeye Name: 3-[(4-hydroxypyrrolidin-2-yl)methoxy-(2-naphthylsulfonyl)methyl]benzoic acid CAS Name: 3-[(4-hydroxy-2-pyrrolidinyl)methoxy-(2-naphthalenylsulfonyl)methyl]benzoic acid IUPAC Name: 3-[(4-hydroxypyrrolidin-2-yl)methoxy-naphthalen-2-ylsulfonylmethyl]benzoic acid Traditional Name: 3-[(4-hydroxypyrrolidin-2-yl)methoxy-(2-naphthylsulfonyl)methyl]benzoic acid Formula: C23H23NO6S MolecularWeight: 441.49682

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO6S/c25-20-12-19(24-13-20)14-30-23(18-7-3-6-17(10-18)22(26)27)31(28,29)21-9-8-15-4-1-2-5-16(15)11-21/h1-11,19-20,23-25H,12-14H2,(H,26,27)