[7-(1H-benzimidazol-2-yl)-1-(3-methyl-1,2-oxazol-5-yl)heptyl] hydrogen sulfate

Systemtic Name: [7-(1H-benzimidazol-2-yl)-1-(3-methyl-1,2-oxazol-5-yl)heptyl] hydrogen sulfate Openeye Name: [7-(1H-benzimidazol-2-yl)-1-(3-methylisoxazol-5-yl)heptyl] hydrogen sulfate CAS Name: sulfuric acid [7-(1H-benzimidazol-2-yl)-1-(3-methyl-5-isoxazolyl)heptyl] ester IUPAC Name: [7-(1H-benzimidazol-2-yl)-1-(3-methyl-1,2-oxazol-5-yl)heptyl] hydrogen sulfate Traditional Name: sulfuric acid [7-(1H-benzimidazol-2-yl)-1-(3-methylisoxazol-5-yl)heptyl] ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(CCCCCCC2=NC3=CC=CC=C3N2)OS(=O)(=O)O

Isomeric SMILES

CC1=NOC(=C1)C(CCCCCCC2=NC3=CC=CC=C3N2)OS(=O)(=O)O

InChI

InChI=1S/C18H23N3O5S/c1-13-12-17(25-21-13)16(26-27(22,23)24)10-4-2-3-5-11-18-19-14-8-6-7-9-15(14)20-18/h6-9,12,16H,2-5,10-11H2,1H3,(H,19,20)(H,22,23,24)