2-[4-(phenylsulfonyl)piperazin-1-yl]butanoic acid

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-yl]butanoic acid Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]butanoic acid CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]butanoic acid IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]butanoic acid Traditional Name: 2-(4-besylpiperazino)butyric acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-2-13(14(17)18)15-8-10-16(11-9-15)21(19,20)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,18)