4-(4-ethylsulfonylpiperazin-1-yl)benzoate

Systemtic Name: 4-(4-ethylsulfonylpiperazin-1-yl)benzoate Openeye Name: 4-(4-ethylsulfonylpiperazin-1-yl)benzoate CAS Name: 4-(4-ethylsulfonyl-1-piperazinyl)benzoate IUPAC Name: 4-(4-ethylsulfonylpiperazin-1-yl)benzoate Traditional Name: 4-(4-esylpiperazino)benzoate Formula: C13H17N2O4S- MolecularWeight: 297.35008

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H18N2O4S/c1-2-20(18,19)15-9-7-14(8-10-15)12-5-3-11(4-6-12)13(16)17/h3-6H,2,7-10H2,1H3,(H,16,17)/p-1