3-[2-(2-naphthalen-2-ylethylsulfonyl)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(2-naphthalen-2-ylethylsulfonyl)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(2-naphthyl)ethylsulfonyl]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(2-naphthalenyl)ethylsulfonyl]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(2-naphthalen-2-ylethylsulfonyl)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(2-naphthyl)ethylsulfonyl]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCS(=O)(=O)C3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCS(=O)(=O)C3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

InChI

InChI=1S/C25H24N2O4S/c28-25(29)11-10-22-9-7-20(18-27-14-3-13-26-27)17-24(22)32(30,31)15-12-19-6-8-21-4-1-2-5-23(21)16-19/h1-9,13-14,16-17H,10-12,15,18H2,(H,28,29)