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

Systemtic Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-nitrofuran-2-yl)methanone Openeye Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-nitro-2-furyl)methanone CAS Name: [4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-(5-nitro-2-furanyl)methanone IUPAC Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-nitrofuran-2-yl)methanone Traditional Name: [4-(2,4-dimethylphenyl)sulfonylpiperazino]-(5-nitro-2-furyl)methanone Formula: C17H19N3O6S MolecularWeight: 393.41426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-12-3-5-15(13(2)11-12)27(24,25)19-9-7-18(8-10-19)17(21)14-4-6-16(26-14)20(22)23/h3-6,11H,7-10H2,1-2H3