[3-(4-methylphenyl)sulfonyloxy-2-[(2-nitroimidazol-1-yl)methoxy]propyl] ethanoate

Systemtic Name: [3-(4-methylphenyl)sulfonyloxy-2-[(2-nitroimidazol-1-yl)methoxy]propyl] ethanoate Openeye Name: [2-[(2-nitroimidazol-1-yl)methoxy]-3-(p-tolylsulfonyloxy)propyl] acetate CAS Name: acetic acid [3-(4-methylphenyl)sulfonyloxy-2-[(2-nitro-1-imidazolyl)methoxy]propyl] ester IUPAC Name: [3-(4-methylphenyl)sulfonyloxy-2-[(2-nitroimidazol-1-yl)methoxy]propyl] acetate Traditional Name: acetic acid [2-[(2-nitroimidazol-1-yl)methoxy]-3-tosyloxy-propyl] ester Formula: C16H19N3O8S MolecularWeight: 413.40236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC(=O)C)OCN2C=CN=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC(=O)C)OCN2C=CN=C2[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O8S/c1-12-3-5-15(6-4-12)28(23,24)27-10-14(9-25-13(2)20)26-11-18-8-7-17-16(18)19(21)22/h3-8,14H,9-11H2,1-2H3