3-methylidene-2-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]isoindol-1-one

Systemtic Name: 3-methylidene-2-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]isoindol-1-one Openeye Name: 3-methylene-2-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]isoindolin-1-one CAS Name: 3-methylene-2-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-1-isoindolone IUPAC Name: 3-methylidene-2-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]isoindol-1-one Traditional Name: 2-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]-3-methylene-isoindolin-1-one Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C(=C)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C(=C)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O4S/c1-17-8-10-19(11-9-17)31(29,30)25-13-5-12-24(14-15-25)22(27)16-26-18(2)20-6-3-4-7-21(20)23(26)28/h3-4,6-11H,2,5,12-16H2,1H3