O4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-pyridin-4-yl] O1-(4-nitrooxybutyl) butanedioate

Systemtic Name: O4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-pyridin-4-yl] O1-(4-nitrooxybutyl) butanedioate Openeye Name: O4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-pyridyl] O1-(4-nitrooxybutyl) butanedioate CAS Name: butanedioic acid O4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-pyridinyl] ester O1-(4-nitrooxybutyl) ester IUPAC Name: 4-O-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethylpyridin-4-yl] 1-O-(4-nitrooxybutyl) butanedioate Traditional Name: succinic acid O4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-pyridyl] ester O1-(4-nitrooxybutyl) ester Formula: C24H28N4O9S MolecularWeight: 548.56552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O9S/c1-15-13-25-20(14-38(33)24-26-18-7-6-17(34-3)12-19(18)27-24)16(2)23(15)37-22(30)9-8-21(29)35-10-4-5-11-36-28(31)32/h6-7,12-13H,4-5,8-11,14H2,1-3H3,(H,26,27)