ethyl 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C21H22ClN3O7S MolecularWeight: 495.93328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O7S/c1-2-32-20(26)14-33(30,31)19-8-7-15(13-18(19)25(28)29)21(27)24-11-9-23(10-12-24)17-6-4-3-5-16(17)22/h3-8,13H,2,9-12,14H2,1H3