(5-nitrofuran-2-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-nitrofuran-2-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-nitro-2-furyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-nitro-2-furanyl)-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-nitrofuran-2-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-mesitylsulfonylpiperazino)-(5-nitro-2-furyl)methanone Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O6S/c1-12-10-13(2)17(14(3)11-12)28(25,26)20-8-6-19(7-9-20)18(22)15-4-5-16(27-15)21(23)24/h4-5,10-11H,6-9H2,1-3H3