5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-5-oxopentanoate IUPAC Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-5-oxopentanoate Traditional Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-5-keto-valerate Formula: C17H21N2O7S- MolecularWeight: 397.42284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC(=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CN(CCN1C(=O)CCCC(=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H22N2O7S/c20-16(2-1-3-17(21)22)18-6-8-19(9-7-18)27(23,24)13-4-5-14-15(12-13)26-11-10-25-14/h4-5,12H,1-3,6-11H2,(H,21,22)/p-1