2-[3-[[methylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[methylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[methylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[methylsulfonyl-[[4-(2-pyrimidinyl)phenyl]methyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[methylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[mesyl-[4-(2-pyrimidyl)benzyl]amino]methyl]phenyl]acetic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C2=NC=CC=N2)CC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C2=NC=CC=N2)CC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C21H21N3O4S/c1-29(27,28)24(15-18-5-2-4-17(12-18)13-20(25)26)14-16-6-8-19(9-7-16)21-22-10-3-11-23-21/h2-12H,13-15H2,1H3,(H,25,26)