ethyl 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[[4-(2-chlorophenyl)-1-piperazinyl]sulfonyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-[4-(2-chlorophenyl)piperazino]sulfonyl-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C20H22ClN3O6S2 MolecularWeight: 499.98818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O6S2/c1-2-30-20(25)14-31-19-8-7-15(13-18(19)24(26)27)32(28,29)23-11-9-22(10-12-23)17-6-4-3-5-16(17)21/h3-8,13H,2,9-12,14H2,1H3