4-tert-butyl-N-[6-(2-isoquinolin-1-yloxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide hydrate

Systemtic Name: 4-tert-butyl-N-[6-(2-isoquinolin-1-yloxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide hydrate Openeye Name: 4-tert-butyl-N-[6-[2-(1-isoquinolyloxy)ethoxy]-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide hydrate CAS Name: 4-tert-butyl-N-[6-[2-(1-isoquinolinyloxy)ethoxy]-5-(3-methoxyphenoxy)-4-pyrimidinyl]benzenesulfonamide hydrate IUPAC Name: 4-tert-butyl-N-[6-(2-isoquinolin-1-yloxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide hydrate Traditional Name: 4-tert-butyl-N-[6-[2-(1-isoquinolyloxy)ethoxy]-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide hydrate Formula: C32H34N4O7S MolecularWeight: 618.69996

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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)OCCOC3=NC=CC4=CC=CC=C43)OC5=CC(=CC=C5)OC.O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCOC3=NC=CC4=CC=CC=C43)OC5=CC(=CC=C5)OC.O

InChI

InChI=1S/C32H32N4O6S.H2O/c1-32(2,3)23-12-14-26(15-13-23)43(37,38)36-29-28(42-25-10-7-9-24(20-25)39-4)31(35-21-34-29)41-19-18-40-30-27-11-6-5-8-22(27)16-17-33-30;/h5-17,20-21H,18-19H2,1-4H3,(H,34,35,36);1H2