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

Systemtic Name: methyl 5-nitro-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]benzoate Openeye Name: methyl 5-nitro-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]benzoate CAS Name: 5-nitro-2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]benzoate Traditional Name: 5-nitro-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]benzoic acid methyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC)C)C

InChI

InChI=1S/C22H27N3O6S/c1-14-12-15(2)17(4)21(16(14)3)32(29,30)24-10-8-23(9-11-24)20-7-6-18(25(27)28)13-19(20)22(26)31-5/h6-7,12-13H,8-11H2,1-5H3