(5-nitrofuran-2-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-nitrofuran-2-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-(5-nitro-2-furyl)methanone CAS Name: (5-nitro-2-furanyl)-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-nitrofuran-2-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-nitro-2-furyl)-(4-p-cumenylsulfonylpiperazino)methanone Formula: C18H21N3O6S MolecularWeight: 407.44084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-13(2)14-3-5-15(6-4-14)28(25,26)20-11-9-19(10-12-20)18(22)16-7-8-17(27-16)21(23)24/h3-8,13H,9-12H2,1-2H3