2-[methylsulfonyl-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methyl]amino]ethanoic acid

Systemtic Name: 2-[methylsulfonyl-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methyl]amino]ethanoic acid Openeye Name: 2-[methylsulfonyl-[[2-[2-(2-naphthyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid CAS Name: 2-[methylsulfonyl-[[2-[2-(2-naphthalenyl)ethoxy]-4-(1-pyrazolylmethyl)phenyl]methyl]amino]acetic acid IUPAC Name: 2-[methylsulfonyl-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid Traditional Name: 2-[mesyl-[2-[2-(2-naphthyl)ethoxy]-4-(pyrazol-1-ylmethyl)benzyl]amino]acetic acid Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=C(C=C(C=C1)CN2C=CC=N2)OCCC3=CC4=CC=CC=C4C=C3)CC(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=C(C=C(C=C1)CN2C=CC=N2)OCCC3=CC4=CC=CC=C4C=C3)CC(=O)O

InChI

InChI=1S/C26H27N3O5S/c1-35(32,33)29(19-26(30)31)18-24-10-8-21(17-28-13-4-12-27-28)16-25(24)34-14-11-20-7-9-22-5-2-3-6-23(22)15-20/h2-10,12-13,15-16H,11,14,17-19H2,1H3,(H,30,31)