phenyl [3-(cyanomethyl)-1H-indol-5-yl]methanesulfonate

Systemtic Name: phenyl [3-(cyanomethyl)-1H-indol-5-yl]methanesulfonate Openeye Name: phenyl [3-(cyanomethyl)-1H-indol-5-yl]methanesulfonate CAS Name: [3-(cyanomethyl)-1H-indol-5-yl]methanesulfonic acid phenyl ester IUPAC Name: phenyl [3-(cyanomethyl)-1H-indol-5-yl]methanesulfonate Traditional Name: [3-(cyanomethyl)-1H-indol-5-yl]methanesulfonic acid phenyl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CC2=CC3=C(C=C2)NC=C3CC#N

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CC2=CC3=C(C=C2)NC=C3CC#N

InChI

InChI=1S/C17H14N2O3S/c18-9-8-14-11-19-17-7-6-13(10-16(14)17)12-23(20,21)22-15-4-2-1-3-5-15/h1-7,10-11,19H,8,12H2