N-[6-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-propan-2-yl-benzenesulfonamide hydrate

Systemtic Name: N-[6-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-propan-2-yl-benzenesulfonamide hydrate Openeye Name: N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(p-tolyl)pyrimidin-4-yl]-4-isopropyl-benzenesulfonamide hydrate CAS Name: N-[6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-5-(4-methylphenyl)-4-pyrimidinyl]-4-propan-2-ylbenzenesulfonamide hydrate IUPAC Name: N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-propan-2-ylbenzenesulfonamide hydrate Traditional Name: N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(p-tolyl)pyrimidin-4-yl]-4-isopropyl-benzenesulfonamide hydrate Formula: C26H28BrN5O5S MolecularWeight: 602.50002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN5O4S.H2O/c1-17(2)19-8-10-22(11-9-19)37(33,34)32-24-23(20-6-4-18(3)5-7-20)25(31-16-30-24)35-12-13-36-26-28-14-21(27)15-29-26;/h4-11,14-17H,12-13H2,1-3H3,(H,30,31,32);1H2