[3-[2-[3-(5,6-dimethyl-3-oxidanylidene-1H-isoindol-2-yl)propyl-methyl-amino]ethyl]-1-benzothiophen-6-yl] methanesulfonate

Systemtic Name: [3-[2-[3-(5,6-dimethyl-3-oxidanylidene-1H-isoindol-2-yl)propyl-methyl-amino]ethyl]-1-benzothiophen-6-yl] methanesulfonate Openeye Name: [3-[2-[3-(5,6-dimethyl-1-oxo-isoindolin-2-yl)propyl-methyl-amino]ethyl]benzothiophen-6-yl] methanesulfonate CAS Name: methanesulfonic acid [3-[2-[3-(5,6-dimethyl-3-oxo-1H-isoindol-2-yl)propyl-methylamino]ethyl]-1-benzothiophen-6-yl] ester IUPAC Name: [3-[2-[3-(5,6-dimethyl-3-oxo-1H-isoindol-2-yl)propyl-methylamino]ethyl]-1-benzothiophen-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-[2-[3-(1-keto-5,6-dimethyl-isoindolin-2-yl)propyl-methyl-amino]ethyl]benzothiophen-6-yl] ester Formula: C25H30N2O4S2 MolecularWeight: 486.6467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CN(C2=O)CCCN(C)CCC3=CSC4=C3C=CC(=C4)OS(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CN(C2=O)CCCN(C)CCC3=CSC4=C3C=CC(=C4)OS(=O)(=O)C)C

InChI

InChI=1S/C25H30N2O4S2/c1-17-12-20-15-27(25(28)23(20)13-18(17)2)10-5-9-26(3)11-8-19-16-32-24-14-21(6-7-22(19)24)31-33(4,29)30/h6-7,12-14,16H,5,8-11,15H2,1-4H3