tert-butyl 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoate Openeye Name: tert-butyl 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetate CAS Name: 2-[3-[[[4-(1-pyrazolyl)phenyl]methyl-(3-pyridinylsulfonyl)amino]methyl]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetate Traditional Name: 2-[3-[[(4-pyrazol-1-ylbenzyl)-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid tert-butyl ester Formula: C28H30N4O5S MolecularWeight: 534.6266

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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)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C28H30N4O5S/c1-28(2,3)37-27(33)21-36-25-8-4-7-23(17-25)20-31(38(34,35)26-9-5-14-29-18-26)19-22-10-12-24(13-11-22)32-16-6-15-30-32/h4-18H,19-21H2,1-3H3