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

Systemtic Name: butyl 2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoate Openeye Name: butyl 2-[3-[[(4-tert-butylphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetate CAS Name: 2-[3-[[(4-tert-butylphenyl)methyl-(3-pyridinylsulfonyl)amino]methyl]phenoxy]acetic acid butyl ester IUPAC Name: butyl 2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetate Traditional Name: 2-[3-[[(4-tert-butylbenzyl)-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid butyl ester Formula: C29H36N2O5S MolecularWeight: 524.67154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O5S/c1-5-6-17-35-28(32)22-36-26-10-7-9-24(18-26)21-31(37(33,34)27-11-8-16-30-19-27)20-23-12-14-25(15-13-23)29(2,3)4/h7-16,18-19H,5-6,17,20-22H2,1-4H3