1-(2-methylpropyl)-4-nitro-5-(phenylsulfonyl)-2-propyl-imidazole

Systemtic Name: 1-(2-methylpropyl)-4-nitro-5-(phenylsulfonyl)-2-propyl-imidazole Openeye Name: 5-(benzenesulfonyl)-1-isobutyl-4-nitro-2-propyl-imidazole CAS Name: 5-(benzenesulfonyl)-1-(2-methylpropyl)-4-nitro-2-propylimidazole IUPAC Name: 5-(benzenesulfonyl)-1-(2-methylpropyl)-4-nitro-2-propylimidazole Traditional Name: 5-besyl-1-isobutyl-4-nitro-2-propyl-imidazole Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC(C)C)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=C(N1CC(C)C)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4S/c1-4-8-14-17-15(19(20)21)16(18(14)11-12(2)3)24(22,23)13-9-6-5-7-10-13/h5-7,9-10,12H,4,8,11H2,1-3H3