1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonyl-5-nitro-indole

Systemtic Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonyl-5-nitro-indole Openeye Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonyl-5-nitro-indole CAS Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonyl-5-nitroindole IUPAC Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylsulfonyl-5-nitroindole Traditional Name: 1-(2-imidazolin-2-ylmethyl)-3-mesyl-5-nitro-indole Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN(C2=C1C=C(C=C2)[N+](=O)[O-])CC3=NCCN3

Isomeric SMILES

CS(=O)(=O)C1=CN(C2=C1C=C(C=C2)[N+](=O)[O-])CC3=NCCN3

InChI

InChI=1S/C13H14N4O4S/c1-22(20,21)12-7-16(8-13-14-4-5-15-13)11-3-2-9(17(18)19)6-10(11)12/h2-3,6-7H,4-5,8H2,1H3,(H,14,15)