2-[5-(3-oxidanylsulfonothioyloxypropylamino)pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-(3-oxidanylsulfonothioyloxypropylamino)pentyl]isoindole-1,3-dione Openeye Name: 2-[5-(3-hydroxysulfonothioyloxypropylamino)pentyl]isoindoline-1,3-dione CAS Name: 2-[5-(3-hydroxysulfonothioyloxypropylamino)pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-(3-hydroxysulfonothioyloxypropylamino)pentyl]isoindole-1,3-dione Traditional Name: 2-[5-(3-hydroxysulfonothioyloxypropylamino)pentyl]isoindoline-1,3-quinone Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCNCCCOS(=O)(=S)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCNCCCOS(=O)(=S)O

InChI

InChI=1S/C16H22N2O5S2/c19-15-13-7-2-3-8-14(13)16(20)18(15)11-5-1-4-9-17-10-6-12-23-25(21,22)24/h2-3,7-8,17H,1,4-6,9-12H2,(H,21,22,24)