methyl 3-nitro-5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-nitro-5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 3-(4-mesitylsulfonylpiperazine-1-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C22H25N3O7S/c1-14-9-15(2)20(16(3)10-14)33(30,31)24-7-5-23(6-8-24)21(26)17-11-18(22(27)32-4)13-19(12-17)25(28)29/h9-13H,5-8H2,1-4H3