1-cyanoethyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: 1-cyanoethyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 1-cyanoethyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-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=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

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

InChI

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