3-cyanopropyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-cyanopropyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 3-cyanopropyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid 3-cyanopropyl ester Formula: C15H17ClN2O4S MolecularWeight: 356.82448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCCCC#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCCCC#N

InChI

InChI=1S/C15H17ClN2O4S/c16-14-6-5-12(23(20,21)18-8-2-3-9-18)11-13(14)15(19)22-10-4-1-7-17/h5-6,11H,1-4,8-10H2