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

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-oxo-propanoic acid CAS Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-oxopropanoic acid Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-3-keto-propionic acid Formula: C15H18N2O7S MolecularWeight: 370.37762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O7S/c18-14(10-15(19)20)16-3-5-17(6-4-16)25(21,22)11-1-2-12-13(9-11)24-8-7-23-12/h1-2,9H,3-8,10H2,(H,19,20)