(2,6-dimethylphenyl) 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (2,6-dimethylphenyl) 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (2,6-dimethylphenyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid (2,6-dimethylphenyl) ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H24N2O5S/c1-15-6-4-7-16(2)20(15)28-21(25)18-8-5-9-19(14-18)29(26,27)23-12-10-22(11-13-23)17(3)24/h4-9,14H,10-13H2,1-3H3