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

Systemtic Name: 3-[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-pyridin-4-yl]oxypropyl 2-azanyl-3-nitrooxy-propanoate Openeye Name: 3-[[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-4-pyridyl]oxy]propyl 2-amino-3-nitrooxy-propanoate CAS Name: 2-amino-3-nitrooxypropanoic 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 2-amino-3-nitrooxypropanoate Traditional Name: 2-amino-3-nitrooxy-propionic acid 3-[[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-4-pyridyl]oxy]propyl ester Formula: C20H23N5O7S MolecularWeight: 477.49092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O7S/c1-13-17(12-33(29)20-23-15-5-2-3-6-16(15)24-20)22-8-7-18(13)30-9-4-10-31-19(26)14(21)11-32-25(27)28/h2-3,5-8,14H,4,9-12,21H2,1H3,(H,23,24)