(4-cyanophenyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-cyanophenyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-cyanophenyl) 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (4-cyanophenyl) ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H15ClN2O4S/c19-16-8-5-14(11-17(16)26(23,24)21-9-1-2-10-21)18(22)25-15-6-3-13(12-20)4-7-15/h3-8,11H,1-2,9-10H2