5-(2-nitroimidazol-1-yl)pentyl benzenesulfonate

Systemtic Name: 5-(2-nitroimidazol-1-yl)pentyl benzenesulfonate Openeye Name: 5-(2-nitroimidazol-1-yl)pentyl benzenesulfonate CAS Name: benzenesulfonic acid 5-(2-nitro-1-imidazolyl)pentyl ester IUPAC Name: 5-(2-nitroimidazol-1-yl)pentyl benzenesulfonate Traditional Name: benzenesulfonic acid 5-(2-nitroimidazol-1-yl)pentyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5S/c18-17(19)14-15-9-11-16(14)10-5-2-6-12-22-23(20,21)13-7-3-1-4-8-13/h1,3-4,7-9,11H,2,5-6,10,12H2