[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-pyridin-4-yl] 4-nitrooxybutanoate

Systemtic Name: [2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-pyridin-4-yl] 4-nitrooxybutanoate Openeye Name: [2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-pyridyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-pyridinyl] ester IUPAC Name: [2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethylpyridin-4-yl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-pyridyl] ester Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC(=O)CCCO[N+](=O)[O-])C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CC1=CN=C(C(=C1OC(=O)CCCO[N+](=O)[O-])C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C20H22N4O7S/c1-12-10-21-17(13(2)19(12)31-18(25)5-4-8-30-24(26)27)11-32(28)20-22-15-7-6-14(29-3)9-16(15)23-20/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,22,23)