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

Systemtic Name: 4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-(5-thiophen-2-ylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide hydrate Openeye Name: 4-tert-butyl-N-[5-(p-tolyl)-6-[2-[5-(2-thienyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-yl]benzenesulfonamide hydrate CAS Name: 4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-[(5-thiophen-2-yl-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]benzenesulfonamide hydrate IUPAC Name: 4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-(5-thiophen-2-ylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide hydrate Traditional Name: 4-tert-butyl-N-[5-(p-tolyl)-6-[2-[5-(2-thienyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-yl]benzenesulfonamide hydrate Formula: C31H33N5O5S2 MolecularWeight: 619.75422

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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=CS4)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=CS4)NS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C.O

InChI

InChI=1S/C31H31N5O4S2.H2O/c1-21-7-9-22(10-8-21)27-28(36-42(37,38)25-13-11-24(12-14-25)31(2,3)4)34-20-35-29(27)39-15-16-40-30-32-18-23(19-33-30)26-6-5-17-41-26;/h5-14,17-20H,15-16H2,1-4H3,(H,34,35,36);1H2