1-cyanoethyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: 1-cyanoethyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 1-cyanoethyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid 1-cyanoethyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C#N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C14H16N2O4S/c1-11(10-15)20-14(17)12-5-4-6-13(9-12)21(18,19)16-7-2-3-8-16/h4-6,9,11H,2-3,7-8H2,1H3