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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CCCC(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H20N2O4S/c17-14(18)7-4-8-15-9-11-16(12-10-15)21(19,20)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,17,18)