4-[2-(cyanomethyl)pyrrol-1-yl]butyl methanesulfonate

Systemtic Name: 4-[2-(cyanomethyl)pyrrol-1-yl]butyl methanesulfonate Openeye Name: 4-[2-(cyanomethyl)pyrrol-1-yl]butyl methanesulfonate CAS Name: methanesulfonic acid 4-[2-(cyanomethyl)-1-pyrrolyl]butyl ester IUPAC Name: 4-[2-(cyanomethyl)pyrrol-1-yl]butyl methanesulfonate Traditional Name: methanesulfonic acid 4-[2-(cyanomethyl)pyrrol-1-yl]butyl ester Formula: C11H16N2O3S MolecularWeight: 256.32134

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCN1C=CC=C1CC#N

Isomeric SMILES

CS(=O)(=O)OCCCCN1C=CC=C1CC#N

InChI

InChI=1S/C11H16N2O3S/c1-17(14,15)16-10-3-2-8-13-9-4-5-11(13)6-7-12/h4-5,9H,2-3,6,8,10H2,1H3