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

Systemtic Name: 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanoic acid Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-(4-besylpiperazino)-4-keto-butyric acid Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2O5S/c17-13(6-7-14(18)19)15-8-10-16(11-9-15)22(20,21)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,18,19)