5-(2-nitroimidazol-1-yl)pentyl 4-methoxybenzenesulfonate

Systemtic Name: 5-(2-nitroimidazol-1-yl)pentyl 4-methoxybenzenesulfonate Openeye Name: 5-(2-nitroimidazol-1-yl)pentyl 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid 5-(2-nitro-1-imidazolyl)pentyl ester IUPAC Name: 5-(2-nitroimidazol-1-yl)pentyl 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid 5-(2-nitroimidazol-1-yl)pentyl ester Formula: C15H19N3O6S MolecularWeight: 369.39286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OCCCCCN2C=CN=C2[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OCCCCCN2C=CN=C2[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O6S/c1-23-13-5-7-14(8-6-13)25(21,22)24-12-4-2-3-10-17-11-9-16-15(17)18(19)20/h5-9,11H,2-4,10,12H2,1H3