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

Systemtic Name: methyl 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 4-[oxo-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-15-14-16(2)18(4)21(17(15)3)31(28,29)25-12-10-24(11-13-25)22(26)19-6-8-20(9-7-19)23(27)30-5/h6-9,14H,10-13H2,1-5H3