(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(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 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C17H20ClN3O5S MolecularWeight: 413.8758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O5S/c1-11(2)16-19-15(26-20-16)10-25-17(22)13-9-12(5-6-14(13)18)27(23,24)21-7-3-4-8-21/h5-6,9,11H,3-4,7-8,10H2,1-2H3