3-cyanopropyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-cyanopropyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 3-cyanopropyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-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=C(C=CC(=C2)C(=O)OCCCC#N)Cl

Isomeric SMILES

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

InChI

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