2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5-morpholinosulfonyl-2-pyridyl)thio]butyl]isoindoline-1,3-quinone Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H23N3O5S2/c25-20-17-5-1-2-6-18(17)21(26)24(20)9-3-4-14-30-19-8-7-16(15-22-19)31(27,28)23-10-12-29-13-11-23/h1-2,5-8,15H,3-4,9-14H2