[4-(4-ethanoylpiperazin-1-yl)phenyl] 3-methyl-4-propan-2-yloxy-benzenesulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 3-methyl-4-propan-2-yloxy-benzenesulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 4-isopropoxy-3-methyl-benzenesulfonate CAS Name: 3-methyl-4-propan-2-yloxybenzenesulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-methyl-4-propan-2-yloxybenzenesulfonate Traditional Name: 4-isopropoxy-3-methyl-benzenesulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)OC(C)C

InChI

InChI=1S/C22H28N2O5S/c1-16(2)28-22-10-9-21(15-17(22)3)30(26,27)29-20-7-5-19(6-8-20)24-13-11-23(12-14-24)18(4)25/h5-10,15-16H,11-14H2,1-4H3