1-benzofuran-2-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1-benzofuran-2-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 2-benzofuranyl-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C20H19N3O6S MolecularWeight: 429.44636

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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=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N3O6S/c1-14-6-7-16(23(25)26)13-19(14)30(27,28)22-10-8-21(9-11-22)20(24)18-12-15-4-2-3-5-17(15)29-18/h2-7,12-13H,8-11H2,1H3