2-[4-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]butyl]isoindoline-1,3-quinone Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H27N3O4S2/c27-22-19-9-3-4-10-20(19)23(28)26(22)15-7-8-16-31-21-12-11-18(17-24-21)32(29,30)25-13-5-1-2-6-14-25/h3-4,9-12,17H,1-2,5-8,13-16H2