1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCC3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCC3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4S/c1-16(30-20-5-3-19(4-6-20)25(27)28)22(26)24-11-9-23(10-12-24)15-17-2-7-21-18(14-17)8-13-29-21/h2-7,14,16H,8-13,15H2,1H3