1-(furan-2-ylmethyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine

Systemtic Name: 1-(furan-2-ylmethyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine Openeye Name: 1-(2-furylmethyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine CAS Name: 1-(2-furanylmethyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazine IUPAC Name: 1-(furan-2-ylmethyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazine Traditional Name: 1-(2-furfuryl)-4-(4-mesyl-2-nitro-phenyl)piperazine Formula: C16H19N3O5S MolecularWeight: 365.40416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5S/c1-25(22,23)14-4-5-15(16(11-14)19(20)21)18-8-6-17(7-9-18)12-13-3-2-10-24-13/h2-5,10-11H,6-9,12H2,1H3