tert-butyl 2-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenoxy]ethanoate Openeye Name: tert-butyl 2-[3-[[3-pyridylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenoxy]acetate CAS Name: 2-[3-[[3-pyridinylsulfonyl-[[4-(5-pyrimidinyl)phenyl]methyl]amino]methyl]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenoxy]acetate Traditional Name: 2-[3-[[3-pyridylsulfonyl-[4-(5-pyrimidyl)benzyl]amino]methyl]phenoxy]acetic acid tert-butyl ester Formula: C29H30N4O5S MolecularWeight: 546.6373

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)C3=CN=CN=C3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)C3=CN=CN=C3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C29H30N4O5S/c1-29(2,3)38-28(34)20-37-26-7-4-6-23(14-26)19-33(39(35,36)27-8-5-13-30-17-27)18-22-9-11-24(12-10-22)25-15-31-21-32-16-25/h4-17,21H,18-20H2,1-3H3