4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-4-keto-butyric acid Formula: C16H20N2O7S MolecularWeight: 384.4042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H20N2O7S/c19-15(3-4-16(20)21)17-5-7-18(8-6-17)26(22,23)12-1-2-13-14(11-12)25-10-9-24-13/h1-2,11H,3-10H2,(H,20,21)