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

Systemtic Name: (2,3,6-trimethylphenyl) 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (2,3,6-trimethylphenyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid (2,3,6-trimethylphenyl) ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-15-8-9-16(2)21(17(15)3)29-22(26)19-6-5-7-20(14-19)30(27,28)24-12-10-23(11-13-24)18(4)25/h5-9,14H,10-13H2,1-4H3