4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-(5-pyridin-2-ylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide hydrate

Systemtic Name: 4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-(5-pyridin-2-ylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide hydrate Openeye Name: 4-tert-butyl-N-[5-(p-tolyl)-6-[2-[5-(2-pyridyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-yl]benzenesulfonamide hydrate CAS Name: 4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-[[5-(2-pyridinyl)-2-pyrimidinyl]oxy]ethoxy]-4-pyrimidinyl]benzenesulfonamide hydrate IUPAC Name: 4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-(5-pyridin-2-ylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide hydrate Traditional Name: 4-tert-butyl-N-[5-(p-tolyl)-6-[2-[5-(2-pyridyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-yl]benzenesulfonamide hydrate Formula: C32H34N6O5S MolecularWeight: 614.71456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=CN=C2OCCOC3=NC=C(C=N3)C4=CC=CC=N4)NS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C.O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=CN=C2OCCOC3=NC=C(C=N3)C4=CC=CC=N4)NS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C.O

InChI

InChI=1S/C32H32N6O4S.H2O/c1-22-8-10-23(11-9-22)28-29(38-43(39,40)26-14-12-25(13-15-26)32(2,3)4)36-21-37-30(28)41-17-18-42-31-34-19-24(20-35-31)27-7-5-6-16-33-27;/h5-16,19-21H,17-18H2,1-4H3,(H,36,37,38);1H2