2-[3-[[methylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[methylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[methylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[methylsulfonyl-[[4-(5-pyrimidinyl)phenyl]methyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[methylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[mesyl-[4-(5-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=CN=CN=C2)CC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

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

InChI

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