(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H21N3O5S/c1-12(2)16-18-15(25-19-16)11-24-17(21)13-5-7-14(8-6-13)26(22,23)20-9-3-4-10-20/h5-8,12H,3-4,9-11H2,1-2H3