2-methyl-1-(3-methyl-4-propoxy-phenyl)sulfonyl-5-nitro-imidazole

Systemtic Name: 2-methyl-1-(3-methyl-4-propoxy-phenyl)sulfonyl-5-nitro-imidazole Openeye Name: 2-methyl-1-(3-methyl-4-propoxy-phenyl)sulfonyl-5-nitro-imidazole CAS Name: 2-methyl-1-(3-methyl-4-propoxyphenyl)sulfonyl-5-nitroimidazole IUPAC Name: 2-methyl-1-(3-methyl-4-propoxyphenyl)sulfonyl-5-nitroimidazole Traditional Name: 2-methyl-1-(3-methyl-4-propoxy-phenyl)sulfonyl-5-nitro-imidazole Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C)C

InChI

InChI=1S/C14H17N3O5S/c1-4-7-22-13-6-5-12(8-10(13)2)23(20,21)16-11(3)15-9-14(16)17(18)19/h5-6,8-9H,4,7H2,1-3H3