tert-butyl 4-[5-tert-butyl-4-(2-methoxyphenoxy)-3-(3-oxidanylpropoxy)-2-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-tert-butyl-4-(2-methoxyphenoxy)-3-(3-oxidanylpropoxy)-2-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-tert-butyl-3-(3-hydroxypropoxy)-4-(2-methoxyphenoxy)-2-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[5-tert-butyl-3-(3-hydroxypropoxy)-4-(2-methoxyphenoxy)-2-(4-pyrimidinylsulfamoyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-tert-butyl-3-(3-hydroxypropoxy)-4-(2-methoxyphenoxy)-2-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[5-tert-butyl-3-(3-hydroxypropoxy)-4-(2-methoxyphenoxy)-2-(4-pyrimidylsulfamoyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C33H45N5O8S MolecularWeight: 671.8041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1OC2=CC=CC=C2OC)OCCCO)S(=O)(=O)NC3=NC=NC=C3)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1OC2=CC=CC=C2OC)OCCCO)S(=O)(=O)NC3=NC=NC=C3)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C33H45N5O8S/c1-32(2,3)23-21-24(37-15-17-38(18-16-37)31(40)46-33(4,5)6)30(47(41,42)36-27-13-14-34-22-35-27)29(44-20-10-19-39)28(23)45-26-12-9-8-11-25(26)43-7/h8-9,11-14,21-22,39H,10,15-20H2,1-7H3,(H,34,35,36)