[7-[5-[(cyclohexylamino)methyl]-1H-indol-2-yl]-5-methoxy-1-oxidanylidene-2,3-dihydroisoindol-4-yl] methanesulfonate

Systemtic Name: [7-[5-[(cyclohexylamino)methyl]-1H-indol-2-yl]-5-methoxy-1-oxidanylidene-2,3-dihydroisoindol-4-yl] methanesulfonate Openeye Name: [7-[5-[(cyclohexylamino)methyl]-1H-indol-2-yl]-5-methoxy-1-oxo-isoindolin-4-yl] methanesulfonate CAS Name: methanesulfonic acid [7-[5-[(cyclohexylamino)methyl]-1H-indol-2-yl]-5-methoxy-1-oxo-2,3-dihydroisoindol-4-yl] ester IUPAC Name: [7-[5-[(cyclohexylamino)methyl]-1H-indol-2-yl]-5-methoxy-1-oxo-2,3-dihydroisoindol-4-yl] methanesulfonate Traditional Name: methanesulfonic acid [7-[5-[(cyclohexylamino)methyl]-1H-indol-2-yl]-1-keto-5-methoxy-isoindolin-4-yl] ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C(=C1)C3=CC4=C(N3)C=CC(=C4)CNC5CCCCC5)C(=O)NC2)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C2=C(C(=C1)C3=CC4=C(N3)C=CC(=C4)CNC5CCCCC5)C(=O)NC2)OS(=O)(=O)C

InChI

InChI=1S/C25H29N3O5S/c1-32-22-12-18(23-19(14-27-25(23)29)24(22)33-34(2,30)31)21-11-16-10-15(8-9-20(16)28-21)13-26-17-6-4-3-5-7-17/h8-12,17,26,28H,3-7,13-14H2,1-2H3,(H,27,29)