ethyl 4-[4-(2-chlorophenyl)sulfonyl-3-nitro-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(2-chlorophenyl)sulfonyl-3-nitro-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(2-chlorophenyl)sulfonyl-3-nitro-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(2-chlorophenyl)sulfonyl-3-nitrophenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-chlorophenyl)sulfonyl-3-nitrobenzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(2-chlorophenyl)sulfonyl-3-nitro-benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H20ClN3O7S MolecularWeight: 481.9067

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O7S/c1-2-31-20(26)23-11-9-22(10-12-23)19(25)14-7-8-18(16(13-14)24(27)28)32(29,30)17-6-4-3-5-15(17)21/h3-8,13H,2,9-12H2,1H3