[4-(4-ethanoylpiperazin-1-yl)phenyl] 4,5-dimethoxy-2-methyl-benzenesulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 4,5-dimethoxy-2-methyl-benzenesulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 4,5-dimethoxy-2-methyl-benzenesulfonate CAS Name: 4,5-dimethoxy-2-methylbenzenesulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 4,5-dimethoxy-2-methylbenzenesulfonate Traditional Name: 4,5-dimethoxy-2-methyl-benzenesulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)OC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)OC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)OC)OC

InChI

InChI=1S/C21H26N2O6S/c1-15-13-19(27-3)20(28-4)14-21(15)30(25,26)29-18-7-5-17(6-8-18)23-11-9-22(10-12-23)16(2)24/h5-8,13-14H,9-12H2,1-4H3