4-(4-ethylsulfonylpiperazin-1-yl)sulfonylbenzoic acid

Systemtic Name: 4-(4-ethylsulfonylpiperazin-1-yl)sulfonylbenzoic acid Openeye Name: 4-(4-ethylsulfonylpiperazin-1-yl)sulfonylbenzoic acid CAS Name: 4-[(4-ethylsulfonyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 4-(4-ethylsulfonylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 4-(4-esylpiperazino)sulfonylbenzoic acid Formula: C13H18N2O6S2 MolecularWeight: 362.42182

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H18N2O6S2/c1-2-22(18,19)14-7-9-15(10-8-14)23(20,21)12-5-3-11(4-6-12)13(16)17/h3-6H,2,7-10H2,1H3,(H,16,17)