(5-phenyl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O5S/c24-21(27-15-18-14-20(28-22-18)16-6-2-1-3-7-16)17-8-10-19(11-9-17)29(25,26)23-12-4-5-13-23/h1-3,6-11,14H,4-5,12-13,15H2