N-[6-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]naphthalene-1-sulfonamide hydrate

Systemtic Name: N-[6-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]naphthalene-1-sulfonamide hydrate Openeye Name: N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(p-tolyl)pyrimidin-4-yl]naphthalene-1-sulfonamide hydrate CAS Name: N-[6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-5-(4-methylphenyl)-4-pyrimidinyl]-1-naphthalenesulfonamide hydrate IUPAC Name: N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]naphthalene-1-sulfonamide hydrate Traditional Name: N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(p-tolyl)pyrimidin-4-yl]naphthalene-1-sulfonamide hydrate Formula: C27H24BrN5O5S MolecularWeight: 610.47896

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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=CC5=CC=CC=C54.O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=CN=C2OCCOC3=NC=C(C=N3)Br)NS(=O)(=O)C4=CC=CC5=CC=CC=C54.O

InChI

InChI=1S/C27H22BrN5O4S.H2O/c1-18-9-11-20(12-10-18)24-25(33-38(34,35)23-8-4-6-19-5-2-3-7-22(19)23)31-17-32-26(24)36-13-14-37-27-29-15-21(28)16-30-27;/h2-12,15-17H,13-14H2,1H3,(H,31,32,33);1H2