ethyl 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O7S/c1-4-32-22(27)18-12-17(13-19(14-18)25(28)29)21(26)23-7-9-24(10-8-23)33(30,31)20-6-5-15(2)11-16(20)3/h5-6,11-14H,4,7-10H2,1-3H3