cyanomethyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: cyanomethyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: cyanomethyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid cyanomethyl ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC#N)S(=O)(=O)N2CCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC#N)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C14H16N2O5S/c1-20-12-5-4-11(14(17)21-9-6-15)10-13(12)22(18,19)16-7-2-3-8-16/h4-5,10H,2-3,7-9H2,1H3