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

Systemtic Name: methyl 2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoate CAS Name: 2-[[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]sulfonylbenzoic acid methyl ester Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)C)C

InChI

InChI=1S/C22H28N2O6S2/c1-15-14-16(2)18(4)21(17(15)3)32(28,29)24-12-10-23(11-13-24)31(26,27)20-9-7-6-8-19(20)22(25)30-5/h6-9,14H,10-13H2,1-5H3