4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-(3-pyrimidin-2-ylpropoxy)pyrimidin-4-yl]benzenesulfonamide hydrate

Systemtic Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-(3-pyrimidin-2-ylpropoxy)pyrimidin-4-yl]benzenesulfonamide hydrate Openeye Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-(3-pyrimidin-2-ylpropoxy)pyrimidin-4-yl]benzenesulfonamide hydrate CAS Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[3-(2-pyrimidinyl)propoxy]-4-pyrimidinyl]benzenesulfonamide hydrate IUPAC Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-(3-pyrimidin-2-ylpropoxy)pyrimidin-4-yl]benzenesulfonamide hydrate Traditional Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[3-(2-pyrimidyl)propoxy]pyrimidin-4-yl]benzenesulfonamide hydrate Formula: C28H33N5O6S MolecularWeight: 567.65652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCCC3=NC=CC=N3)OC4=CC(=CC=C4)OC.O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCCC3=NC=CC=N3)OC4=CC(=CC=C4)OC.O

InChI

InChI=1S/C28H31N5O5S.H2O/c1-28(2,3)20-11-13-23(14-12-20)39(34,35)33-26-25(38-22-9-5-8-21(18-22)36-4)27(32-19-31-26)37-17-6-10-24-29-15-7-16-30-24;/h5,7-9,11-16,18-19H,6,10,17H2,1-4H3,(H,31,32,33);1H2