1,3-benzodioxol-5-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C19H19N3O7S MolecularWeight: 433.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O7S/c1-13-2-4-15(22(24)25)11-18(13)30(26,27)21-8-6-20(7-9-21)19(23)14-3-5-16-17(10-14)29-12-28-16/h2-5,10-11H,6-9,12H2,1H3