2-[(3S,4S,7R)-7-methyl-3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl]isoindole-1,3-dione

Systemtic Name: 2-[(3S,4S,7R)-7-methyl-3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl]isoindole-1,3-dione Openeye Name: 2-[(3S,4S,7R)-3-hydroxy-7-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]isoindoline-1,3-dione CAS Name: 2-[(3S,4S,7R)-3-hydroxy-7-methyl-1-(2-pyridinylsulfonyl)-4-azepanyl]isoindole-1,3-dione IUPAC Name: 2-[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]isoindole-1,3-dione Traditional Name: 2-[(3S,4S,7R)-3-hydroxy-7-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]isoindoline-1,3-quinone Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(CN1S(=O)(=O)C2=CC=CC=N2)O)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@H](CN1S(=O)(=O)C2=CC=CC=N2)O)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21N3O5S/c1-13-9-10-16(23-19(25)14-6-2-3-7-15(14)20(23)26)17(24)12-22(13)29(27,28)18-8-4-5-11-21-18/h2-8,11,13,16-17,24H,9-10,12H2,1H3/t13-,16+,17+/m1/s1