2-[2-(azepan-1-ylsulfonyl)ethyl]-5-methyl-isoindole-1,3-dione

Systemtic Name: 2-[2-(azepan-1-ylsulfonyl)ethyl]-5-methyl-isoindole-1,3-dione Openeye Name: 2-[2-(azepan-1-ylsulfonyl)ethyl]-5-methyl-isoindoline-1,3-dione CAS Name: 2-[2-(1-azepanylsulfonyl)ethyl]-5-methylisoindole-1,3-dione IUPAC Name: 2-[2-(azepan-1-ylsulfonyl)ethyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[2-(azepan-1-ylsulfonyl)ethyl]-5-methyl-isoindoline-1,3-quinone Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCS(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCS(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H22N2O4S/c1-13-6-7-14-15(12-13)17(21)19(16(14)20)10-11-24(22,23)18-8-4-2-3-5-9-18/h6-7,12H,2-5,8-11H2,1H3