2-[1-(azepan-1-yl)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-(azepan-1-yl)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[1-(azepane-1-carbonyl)-3-methylsulfonyl-propyl]isoindolin-1-one CAS Name: 2-[1-(1-azepanyl)-4-methylsulfonyl-1-oxobutan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-(azepan-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[1-(azepane-1-carbonyl)-3-mesyl-propyl]isoindolin-1-one Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N1CCCCCC1)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)N1CCCCCC1)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H26N2O4S/c1-26(24,25)13-10-17(19(23)20-11-6-2-3-7-12-20)21-14-15-8-4-5-9-16(15)18(21)22/h4-5,8-9,17H,2-3,6-7,10-14H2,1H3