4-(5-cyano-6-methylsulfonyloxy-1H-indol-3-yl)butyl methanesulfonate

Systemtic Name: 4-(5-cyano-6-methylsulfonyloxy-1H-indol-3-yl)butyl methanesulfonate Openeye Name: 4-(5-cyano-6-methylsulfonyloxy-1H-indol-3-yl)butyl methanesulfonate CAS Name: methanesulfonic acid 4-(5-cyano-6-methylsulfonyloxy-1H-indol-3-yl)butyl ester IUPAC Name: 4-(5-cyano-6-methylsulfonyloxy-1H-indol-3-yl)butyl methanesulfonate Traditional Name: methanesulfonic acid 4-(5-cyano-6-methylsulfonyloxy-1H-indol-3-yl)butyl ester Formula: C15H18N2O6S2 MolecularWeight: 386.44322

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCC1=CNC2=C1C=C(C(=C2)OS(=O)(=O)C)C#N

Isomeric SMILES

CS(=O)(=O)OCCCCC1=CNC2=C1C=C(C(=C2)OS(=O)(=O)C)C#N

InChI

InChI=1S/C15H18N2O6S2/c1-24(18,19)22-6-4-3-5-11-10-17-14-8-15(23-25(2,20)21)12(9-16)7-13(11)14/h7-8,10,17H,3-6H2,1-2H3