2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxyethyl 4-nitrooxybutanoate

Systemtic Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxyethyl 4-nitrooxybutanoate Openeye Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxyethyl 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid 2-[[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]oxy]ethyl ester IUPAC Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethyl 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(2-pyrimidyl)pyrimidin-4-yl]oxyethyl ester Formula: C31H34N6O10S MolecularWeight: 682.70086

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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)C3=NC=CC=N3)OCCOC(=O)CCCO[N+](=O)[O-])OC4=CC=CC=C4OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCOC(=O)CCCO[N+](=O)[O-])OC4=CC=CC=C4OC

InChI

InChI=1S/C31H34N6O10S/c1-31(2,3)21-12-14-22(15-13-21)48(41,42)36-27-26(47-24-10-6-5-9-23(24)43-4)30(35-29(34-27)28-32-16-8-17-33-28)45-20-19-44-25(38)11-7-18-46-37(39)40/h5-6,8-10,12-17H,7,11,18-20H2,1-4H3,(H,34,35,36)