ethyl 5-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[4-(4-chloro-2-nitro-phenyl)piperazino]sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C22H22ClN3O7S MolecularWeight: 507.94398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C22H22ClN3O7S/c1-3-32-22(27)21-14(2)17-13-16(5-7-20(17)33-21)34(30,31)25-10-8-24(9-11-25)18-6-4-15(23)12-19(18)26(28)29/h4-7,12-13H,3,8-11H2,1-2H3