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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H20N2O5S/c1-12-16(13(2)24-18-12)11-23-17(20)14-5-7-15(8-6-14)25(21,22)19-9-3-4-10-19/h5-8H,3-4,9-11H2,1-2H3