3-methyl-8-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]sulfonyl-quinoline

Systemtic Name: 3-methyl-8-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]sulfonyl-quinoline Openeye Name: 3-methyl-8-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]sulfonyl-quinoline CAS Name: 3-methyl-8-[[4-(3-methyl-5-nitro-4-imidazolyl)-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 3-methyl-8-[4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-yl]sulfonylquinoline Traditional Name: 3-methyl-8-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazino]sulfonyl-quinoline Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)C4=C(N=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)C4=C(N=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O4S/c1-13-10-14-4-3-5-15(16(14)19-11-13)29(27,28)23-8-6-22(7-9-23)18-17(24(25)26)20-12-21(18)2/h3-5,10-12H,6-9H2,1-2H3