(3-phenyl-1,2-oxazol-5-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-phenyl-1,2-oxazol-5-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3-phenylisoxazol-5-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (3-phenyl-5-isoxazolyl)methyl ester IUPAC Name: (3-phenyl-1,2-oxazol-5-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (3-phenylisoxazol-5-yl)methyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=NO3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=NO3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H19ClN2O5S/c22-18-9-8-16(12-20(18)30(26,27)24-10-4-5-11-24)21(25)28-14-17-13-19(23-29-17)15-6-2-1-3-7-15/h1-3,6-9,12-13H,4-5,10-11,14H2