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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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