(2-ethoxyphenyl) 3-(4-ethanoylpiperazin-1-yl)carbonylbenzenesulfonate

Systemtic Name: (2-ethoxyphenyl) 3-(4-ethanoylpiperazin-1-yl)carbonylbenzenesulfonate Openeye Name: (2-ethoxyphenyl) 3-(4-acetylpiperazine-1-carbonyl)benzenesulfonate CAS Name: 3-[(4-acetyl-1-piperazinyl)-oxomethyl]benzenesulfonic acid (2-ethoxyphenyl) ester IUPAC Name: (2-ethoxyphenyl) 3-(4-acetylpiperazine-1-carbonyl)benzenesulfonate Traditional Name: 3-(4-acetylpiperazine-1-carbonyl)benzenesulfonic acid o-phenetyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H24N2O6S/c1-3-28-19-9-4-5-10-20(19)29-30(26,27)18-8-6-7-17(15-18)21(25)23-13-11-22(12-14-23)16(2)24/h4-10,15H,3,11-14H2,1-2H3