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

Systemtic Name: methyl 3-nitro-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzoate Openeye Name: methyl 3-nitro-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzoate CAS Name: 3-nitro-4-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzoate Traditional Name: 4-(4-mesitylsulfonylpiperazino)-3-nitro-benzoic acid methyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-14-11-15(2)20(16(3)12-14)31(28,29)23-9-7-22(8-10-23)18-6-5-17(21(25)30-4)13-19(18)24(26)27/h5-6,11-13H,7-10H2,1-4H3