1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazine IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazine Traditional Name: 1-(coumaran-5-ylmethyl)-4-(4-mesyl-2-nitro-phenyl)piperazine Formula: C20H23N3O5S MolecularWeight: 417.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-29(26,27)17-3-4-18(19(13-17)23(24)25)22-9-7-21(8-10-22)14-15-2-5-20-16(12-15)6-11-28-20/h2-5,12-13H,6-11,14H2,1H3