3-[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-pyridin-4-yl]oxypropyl 4-nitrooxybutanoate

Systemtic Name: 3-[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-pyridin-4-yl]oxypropyl 4-nitrooxybutanoate Openeye Name: 3-[[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-4-pyridyl]oxy]propyl 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid 3-[[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-4-pyridinyl]oxy]propyl ester IUPAC Name: 3-[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methylpyridin-4-yl]oxypropyl 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid 3-[[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-4-pyridyl]oxy]propyl ester Formula: C21H24N4O7S MolecularWeight: 476.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O7S/c1-15-18(14-33(29)21-23-16-6-2-3-7-17(16)24-21)22-10-9-19(15)30-11-5-12-31-20(26)8-4-13-32-25(27)28/h2-3,6-7,9-10H,4-5,8,11-14H2,1H3,(H,23,24)