(2,5-dimethylphenyl)methyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (2,5-dimethylphenyl)methyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid (2,5-dimethylbenzyl) ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-16-4-5-17(2)20(14-16)15-29-22(26)19-6-8-21(9-7-19)30(27,28)24-12-10-23(11-13-24)18(3)25/h4-9,14H,10-13,15H2,1-3H3