[7-[5-(dimethylaminomethyl)-1H-indol-2-yl]-5-(methoxymethyl)-1-oxidanylidene-2,3-dihydroisoindol-4-yl] methanesulfonate

Systemtic Name: [7-[5-(dimethylaminomethyl)-1H-indol-2-yl]-5-(methoxymethyl)-1-oxidanylidene-2,3-dihydroisoindol-4-yl] methanesulfonate Openeye Name: [7-[5-(dimethylaminomethyl)-1H-indol-2-yl]-5-(methoxymethyl)-1-oxo-isoindolin-4-yl] methanesulfonate CAS Name: methanesulfonic acid [7-[5-(dimethylaminomethyl)-1H-indol-2-yl]-5-(methoxymethyl)-1-oxo-2,3-dihydroisoindol-4-yl] ester IUPAC Name: [7-[5-(dimethylaminomethyl)-1H-indol-2-yl]-5-(methoxymethyl)-1-oxo-2,3-dihydroisoindol-4-yl] methanesulfonate Traditional Name: methanesulfonic acid [7-[5-(dimethylaminomethyl)-1H-indol-2-yl]-1-keto-5-(methoxymethyl)isoindolin-4-yl] ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC2=C(C=C1)NC(=C2)C3=CC(=C(C4=C3C(=O)NC4)OS(=O)(=O)C)COC

Isomeric SMILES

CN(C)CC1=CC2=C(C=C1)NC(=C2)C3=CC(=C(C4=C3C(=O)NC4)OS(=O)(=O)C)COC

InChI

InChI=1S/C22H25N3O5S/c1-25(2)11-13-5-6-18-14(7-13)9-19(24-18)16-8-15(12-29-3)21(30-31(4,27)28)17-10-23-22(26)20(16)17/h5-9,24H,10-12H2,1-4H3,(H,23,26)