2-[1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-methyl-2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-1-methyl-ethyl]isoindoline-1,3-quinone Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N3O5S/c1-17(27-23(29)20-6-3-4-7-21(20)24(27)30)22(28)26-13-5-12-25(14-15-26)16-18-8-10-19(11-9-18)33(2,31)32/h3-4,6-11,17H,5,12-16H2,1-2H3