3-methyl-8-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]sulfonyl-quinoline

Systemtic Name: 3-methyl-8-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]sulfonyl-quinoline Openeye Name: 3-methyl-8-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]sulfonyl-quinoline CAS Name: 3-methyl-8-[[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 3-methyl-8-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]sulfonylquinoline Traditional Name: 3-methyl-8-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazino]sulfonyl-quinoline Formula: C23H24N4O6S MolecularWeight: 484.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C23H24N4O6S/c1-16-9-17-3-2-4-21(22(17)24-12-16)34(30,31)26-7-5-25(6-8-26)13-18-10-20(27(28)29)11-19-14-32-15-33-23(18)19/h2-4,9-12H,5-8,13-15H2,1H3