2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]isoindoline-1,3-quinone Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21N3O4S2/c24-19-16-7-3-4-8-17(16)20(25)23(19)14-28-18-10-9-15(13-21-18)29(26,27)22-11-5-1-2-6-12-22/h3-4,7-10,13H,1-2,5-6,11-12,14H2